News
People currently working in our group:
Claudia Draxl
Benedikt Maurer
Hannah Kleine
Olga Turkina
Pasquale Pavone
Santiago Rigamonti
Sven Lubeck
Tim Bechtel
Konstantin Lion
Martin Kuban
Sebastian Tillack
Daniel Speckhard
Mao Yang
Cecilia Vona
Peter Weber
Ignacio Gonzalez
Fabian Peschel
Lu Qiao
Nakib Protik
Manoar Hossain
Mara Voiculescu
Elisa Stephan
Adam Newton
Talks
| 09-23-2024 | Finding patterns and outliers in materials data Keynote talk at the 11th international conference on Multiscale Materials Modeling (MMM11), Prague, Czech Republic, September 22-27, 2024 |
| 09-11-2024 | How big is Big Data? Invited talk at the Data-driven discovery in the chemical sciences Farady Discussion, Oxford, United Kingdom, September 10-12, 2024 |
| 09-04-2024 | Introduction to FAIRmat: Focus on spectroscopy FAIRmat hackathon on FAIR Data Management of Spectroscopy Simulations, Berlin, Germany, September 4-6, 2024 |
| 08-23-2024 | FAIR data towards new insights into materials Plenary talk at the XXth Rencontres du Vietnam on Materials Informatics: Accelerating Materials Research and Design with Artificial Intelligence, ICISE, Quy Nhon, Vietnam, August 23-25, 2024 |
| 07-11-2024 | Assessing spectroscopic features: from fingerprinting to predictions Invited talk at the CECAM workshop on Machine Learning of First Principles Observables, Berlin, Germany, July 8-12, 2024 (online) |
| 07-09-2024 | Tackling excitations in complexand defected materials Invited talk at the XXXV IUPAP Conference on Computational Physics (CCP2024), Thessaloniki, Greece, July 7-12, 2024 |
| 06-24-2024 | FAIR data for accelerated materials discovery: The NOMAD project Invited talk at the CIMTEC, Montecatini Therme, Italy, June 20-24, 2024 |
| 06-03-2024 | Theoretical spectroscopy: State of the art and challenges Plenary talk at the ETSF conference, Marseille, France, June 3-7, 2024 |
| 05-29-2024 | Many-body approach to competing interactions Invited talk at the CECAM Psi-k Research Conference “Electronic-structure simulations for large-scale facilities: Opportunities, challenges, and roadmaps”, Lausanne, Switzerland, May 28-31, 2024 |
| 05-23-2024 | Toward accelerated discovery of new materials Tutorial talk at the Nanotechnology Summer School NSSY-2024, Puerto Ayora, Galapagos Islands, Ecuador, May 19-25, 2024 |
| 04-24-2024 | Organic/inorganic hybrid materials: where physics meets chemistry Cambridge University, Cambridge, United Kingdom |
| 04-24-2024 | From research data to data-centric research Physics Colloquium of the Department of Physics of the Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, Germany |
| 04-12-2024 | The importance of exascale computing for materials science Invited talk at the workshop on Scientific computing and big data in the era of exascale: requirements and showcases, John von Neumann-Institut für Computing (NIC), Jülich, Germany |
| 03-20-2024 | Level alignment and excitations at heterointerfaces Penn State University, State College, USA |
| 03-12-2024 | Material databases and NOMAD Tutorial at Materials Informatics: Tutorials and Hands-On (part of the long-term program Data-Driven Materials Informatics), IMSI, Chicago, USA, March 11-15, 2024 |
| 03-07-2024 | Tackling the interplay of competing interactions in complex materials Invited talk at the APS March Meeting 2024, Minneapolis, USA, March 2-8, 2024 |
| 01-30-2024 | From science to data & from data to science Invited talk at the Seminar of the Priority Program DynaCat, Berlin, Germany |
| 01-04-2024 | NOMAD: A digital platform for materials discovery Charité Berlin, Germany |
| 12-19-2023 | Towards accelerated discovery of new materials University of Tokyo, Tokyo, Japan |
| 12-18-2023 | Towards accelerated discovery of new materials National Institute for Materials Science (NIMS), Tsukuba, Japan |
| 12-16-2023 | FAIR data and artificial intelligence enabling new horizons for materials research Invited talk at the the Materials Research Meeting 2023 (MRM2023), Kyoto, Japan. Dec. 11-16, 2023 |
| 11-28-2023 | Revisting the ”I” in FAIR: Opportunities and Challenges Invited talk at the 2023 MRS Fall Meeting, Boston, USA, November 26 – December 1, 2023 |
| 10-17-2023 | From many-body theory to nonlinear modeling and classification Invited talk at the IOP-FHI workshop on the frontiers of electronic-structure theory, Bejing, China, October 16-19, 2023 |
| 10-14-2023 | Excitations in complex materials: interplay between electron-electron, electron-phonon, electron-hole, and spin-orbit interactions Invited talk at the IOP-HU Early Career Conference on Condensed Matter Physics, Liyang, China, October 12-14, 2023 |
| 09-18-2023 | Electronic-structure theory and materials discovery on the way to exascale Invited talk at the International NHR Conference ’23, Berlin, Germany, September 18-20, 2023 |
| 09-05-2023 | FAIRmat’s approach to FAIR data and accelerated materials discovery Invited talk at the GDCh Science Forum Chemistry 2023, Leipzig, Germany, September 5-7, 2023 |
| 08-02-2023 | Augmented plaewave methods HoW exciting! 2023, HU Berlin, Germany, August 2-10, 2023 |
| 07-04-2023 | Level alignment and excitations at interfaces between molecules and 2D materials Invited talk at the ICQC 2023 Satellite Meeting on Intermolecular Interactions and Properties of Gases, Liquids and Solids, Graz, Austria, July 3-5, 2023 |
| 05-26-2023 | Exploring large data spaces Invited talk at the School on Artificial Intelligence for Materials Science in the Exascale Era, Platja d’Aro, Spain, May 22-26, 2023 |
| 05-15-2023 | The FAIRmat approach to accelerated discovery of new materials Invited talk at the 787. WE-Heraeus-Seminar on Accelerated Discovery of New Materials, Bad Honnef, Germany, May 15-18, 2023 |
| 05-02-2023 | High-throughput spectroscopy and materials discovery by beyond-DFT workflows and data-analysis frameworks Invited talk at the Workshop Complex Scientific Workflows at Extreme Computational Scales Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, May 1-5, 2023 |
| 04-19-2023 | Combining cluster expansion and machine learning towards non-linear modeling and classification Invited talk at the 2nd Materials Science Colloquium, Lech am Arlberg, Austria, April 17-20, 2023 |
| 04-13-2023 | Combining cluster expansion and machine learning towards non-linear modeling and classification Invited talk at the 2023 MRS Spring Meeting, San Francisco, USA, April 10-13,2023 |
| 04-11-2023 | Interweaving synthesis, theory, experiment, devices, data tools, and machine learning for exploring materials: example of halide perovskites Invited talk at the 2023 MRS Spring Meeting, San Francisco, USA, April 10-13,2023 |
| 03-22-2023 | Level alignment and excitations at heterointerfaces Invited talk at the International Winterschool on Electronic Properties of Novel Materials, Kirchberg, Austria, March 18-24, 2023 |
| 02-28-2023 | Unsupervised learning for insight into high-throughput calculations Invited talk at the Winter School in III-Sb Applications, Berlin, Germany, February 27 – March 3, 2023 |
| 01-02-2023 | FAIRmat – making materials data Findable and AI Ready Webinar by University of Oslo, Norway |
| 01-11-2023 | Theoretical spectroscopy of complex system: fundamentals and challenges Invited talk at the PERSEPHONe & SMART-X Winter School 2023, Bormio, Italy, January 8-13, 2023 |
| 12-15-2022 | How green is our research? Invited talk at the Reunion Conference on the program Science at Extreme Scales: Where Big Data Meets Large-Scale Computing, Lake Arrowhead, USA, December 10-16, 2022 |
| 12-12-2022 | Unsupervised learning for insight into high-throuput calculations Invited talk at the Reunion Conference on the program Science at Extreme Scales: Where Big Data Meets Large-Scale Computing, Lake Arrowhead, USA, December 10-16, 2022 |
| 11-03-2022 | First-principles approaches for exploring interactions in (x-ray) spectroscopy Invited talk at the international workshop on Theory meets XFELs, Hamburg, Germany, November 2-4, 2022 |
| 10-20-2022 | FAIRmat – making materials data Findable and AI Ready Invited talk at a webinar by NIST, USA |
| 10-07-2022 | Opto-electronic excitations in TMDC-based systems explored by many-body theory HIOS Symposium 2022, Berlin, Germany, October 6-7, 2022 |
| 09-22-2022 | Machine-learning from heterogenous data: dream or reality? Invited talk at the Conference Machine Learning in Natural Sciences: From Quantum Physics to Nanoscience and Structural Biology, Hamburg, Germany, September 19-22, 2022 |
| 09-21-2022 | Murphy’s law and DFT ... Invited talk at the 3rd International Seminar on Electron and phonon dynamics in soft optoelectronic materials, Munich, Septmber 19-21, 2022 |
| 09-15-2022 | From traditional physics research to data-centric approaches: Impact of the “I” in FAIR Webinar of the Journal of Materials Informatics (virtual) |
| 09-05-2022 | How to tackle the I in FAIR? Overview talk (Hauptvortrag) at the Spring Meeting of the German Physical Society (DPG), Regensburg, Germany, September 4-9, 2022 |
| 08-29-2022 | The dilemma of choosing the right functional Invited talk at the DFT 2022, Brussels, Belgium, August 29 – September 2, 2022 |
| 08-25-2022 | Excitations in polar and non-polar wide-gap oxides Invited talk at the Psi-k Conference, Lausanne, Switzerland, August 22-26, 2022 |
| 07-21-2022 | From traditional physics research to data-centric approaches: How to tackle the “I” in FAIR AFLOW Seminar, Duke University, USA (virtual) |
| 07-14-2022 | From traditional physics research to data-centric approaches: the role of FAIRness Online lunch seminar of the PUNCH4NFDI Consortium (virtual) |
| 07-07-2022 | Excitations in (not so) complex materials: the dilemma of choosing the right method Invited talk at the 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Vancouver, Canada, July 3-8, 2022 |
| 06-24-2022 | Green-X NOMAD CoE Industry Meeting, Berlin, Germany, June 24-25, 2022 |
| 06-23-2022 |
From theoretical x-ray spectroscopy to data-quality assessment SUNCAT Virtual Seminar, Stanford, USA (virtual) |
| 05-31-2022 | A theorist’s view on complex oxides SFB 1242 Colloquium University of Duisburg, Germany |
| 05-16-2022 | From traditional physics research to data-centric approaches: the role of FAIRness Physics Colloquium of the University of Würzburg, Germany |
| 05-11-2022 | From Research Islands and Data Silos to a Powerful Data Infrastructure Overview talk at the FAIRmat Tutorial on NOMAD Oasis and FAIR data collaboration and sharing, May 11-12, 2022 (virtual) |
| 04-13-2022 | From fundamental physics research to novel materials by data-centric approaches Plenary talk at the Autumn Meeting of the Brazilian Physical Society (EOSBF 22), Sao Paulo, Brazil, April 10-14, 2022 |
| 02-14-2022 | Excitations and 2D quantum gases in complex oxides VirtMat Seminar, KIT (virtual) |
| 01-28-2022 | FAIRmat - Making Materials Research Data Findable and AI-ready Invited talk at the Japan Nano 2022, Tokio (virtual) |
| 01-20-2022 | Similarities and pattern identification in materials-sciene data Spanish network of AI (virtual) |
| 01-19-2022 | Similarity of materials and data-quality assessment by unsupervised learning HEIBRiDS Lecture, Berlin (virtual) |
| 12-17-2021 | FAIRmat’s approach to FAIRness Invited talk at the Culminating Workshop on HPC and Data Science for Scientific Discovery, Lake Arrowhead, USA, December 11-17, 2021 |
| 12-08-2021 | Similarity of Materials and Data-Quality Assessment by Unsupervised Learning Invited talk at the 2021 MRS Fall Meeting, December 6-8, 2021 |
| 12-07-2021 | Many-Body Approaches for Excitations In Solids—Current Limitations and Perspectives Towards Exascale Performance Invited talk at the 2021 MRS Fall Meeting, December 6-8, 2021 |
| 11-30-2021 | A quantum puzzle 2021 kick-off meeting of the Max Planck Graduate Center for Quantum Materials (virtual) |
| 11-22-2021 | Excitations in complex oxides Colloquium at the University College London (virtual) |
| 11-19-2021 | Data-centric materials science: challenges in (theoretical) spectroscopy Workshop on Materials Science and Chemistry by the Berlin-Brandenburg Academy of Sciences and Humanities |
| 11-17-2021 | exciting News Invited talk at the 9th Workshop on Novel Methods for Electronic Structure Calculations, La Plata, Argentinia (online), Nov. 10-19, 2021 |
| 11-16-2021 | Quantum-based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges Lise-Meitner Lecture 2021 at the DPG, Berlin, Germany |
| 11-08-2021 | Excitations in complex oxides Invited talk at the 25. Physikerinnentagung, November 8-10, 2021 (virtual) |
| 10-28-2021 | From FAIR Data to Knowledge and Novel Materials Invited talk at the conference Physics for Society: Grand Challenges in the HORIZON 2050, October 28-29, 2021, Berlin, Germany |
| 10-27-2021 | Electronic structure of complex materials: The dilemma of choosing the right method Invited talk at the conference Photoemission Tomography: Applications and Future Developments, October 24-28, 2021, Bad Honnef, Germany |
| 10-11-2021 | Basics of density-functional theory Invited lecture at the GreenALM Tutorial, October 11-14, 2021 (virtual) |
| 09-28-2021 | FAIRmat – Making Materials Data Findable and AI Ready Invited talk at the Fall Meeting of the German Physical Society (DPG), September 28 – October 1, 2021 (virtual). |
| 09-25-2021 | From physics and maths to data and back Invited talk at the symposium on the occasion of Walter Pötz’s retirement, Graz, Austria |
| 09-23-2021 | Quantum-based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges Lise-Meitner Lecture 2021, Innsbruck, Austria |
| 09-20-2021 | From Data Mining to Knowledge: Refining a Precious Raw Material of the 21st Century Keynote talk at the International Symposium on Nanoscale Research, September 20-21, 2021, Leoben, Austria |
| 09-15-2021 | FAIR Data and Artificial Intelligence towards New Horizons in Materials Research Plenary talk at the EUROMAT 2021, September 13-17, 2021 (virtual) |
| 08-31-2021 | A Theorist’s Perspective on Electron-loss Spectroscopy Invited talk at the JEELS 2020, August 30 – Spetember 2, 2021, Münster, Germany |
| 08-04-2021 | Excitations in solids: Theoretical approaches, benchmarks, limitations, and perspectives towards exascale performance Plenary talk at the XXXIII UPAP Conference on Computational Physics (CCP21), August 2-5, Coventry, UK (virtual) |
| 06-17-2021 | FAIRmat’s approach to data-centric science Invited talk at the SHU - MGI - FAIR-DI Workshop 2021 on FAIR-Data-Driven Materials Research, China (virtual) |
| 06-03-2021 | From data to knowledge Invited talk at the International Materials Square Workshop on Computer-Aided Materials Discovery, Korea (virtual) |
| 06-03-2021 | From data to knowledge Invited talk at the FunMat-II seminar on AI and machine learning for materials design, Linköping, Sweden (virtual) |
| 05-04-2021 | From physics today to publishing and research of tomorrow Physics colloquium at the University of Kiel (virtual) |
| 04-22-2021 | Partial Order-Disorder Transition in Thermoelectric Clathrates Revealed by a Novel Approach for Temperature-Dependent Properties of Alloys Invited talk at the 2021 Virtual MRS Spring Meeting & Exhibt, April 17-23, 2021 |
| 04-20-2021 | Theoretical Spectroscopy from the UV to the Hard X-Ray Region—Example of Ga2O3 Invited talk at the 2021 Virtual MRS Spring Meeting & Exhibt, April 17-23, 2021 |
| 04-08-2021 | From Data to Knowldege Invited talk at Mixed-gen Session 4: Data Driven Science, online meeting - hosted by CECAM-HQ, April 8, 2021 |
| 03-16-2021 | New Horizons for Materials Research Invited talk at the APS March Meeting 2021, March 15-21, 2021 |
| 03-31-2021 | From raw data to material maps Keynote talk at Nature Research Round Table – Materials Genome Engineering and its Application in Energy Materials, March 31, 2021 (virtual) |
| 03-11-2021 | Theoretical Toolbox for the Characterization of Organic-Inorganic Interfaces Invited talk at the Virtual Microscopy Characterisation of Organic-Inorganic Interfaces 2021, March 11-12, 2021 |
| 01-13-2021 | Recylce the Waste! Invited talk at the APE 2021 (Academic Publishing in Europe), January 12-13, 2021 |
| 11-27-2020 | FAIR Data Infrastructures towards New Horizons for Materials Research Invited talk at the MRS Fall Meeting 2020, November 27- December 4, 2020 |
| 11-17-2020 | FAIR Data for New Horizons in Materials Research Institute for Advanced Materials (InaMat) at the Public University of Navarre |
| 10-19-2020 | FAIRmat Keynote talk at the EPICS Collaboration Fall Meeting 2020, October 19-23, 2020 (virtual) video |
| 10-12-2020 | Predicting properties of complex materials: challenges for modern ab initio theory Colloquium at the HITS, Heidelberg (virtual) video |
| 10-05-2020 | Organic/inorganic hybrid materials for solar cells: What insight can we gain from theoretical spectroscopy? Invited talk at the 9th SolTech Conference 2020, October 5-8, 2020 (virtual meeting) |
| 09-28-2020 | Puzzle pieces towards a unified ab initio description of excitation dynamics Invited talk at the Workshop on Excited Charge Dynamics in Semiconductors, ICTP, Trieste, Italy, September 28-30, 2020 (virtual meeting) |
| 08-17-2020 | FAIR Data Enabling New Horizons for Materials Research Keynote talk at the Summer School MATERIALS 4.0, Dresden Germany, Aug. 17-21, 2020 (virtual meeting) |
| 07-16-2020 | Detecting Materials Genes by High-performance Computing and Artificial Intelligence CECAM Webinar on The importance of being H.P.C. Earnest |
| 06-25-2020 | Stepping Stones towards the Fourth Paradigm of Materials Science Seminar seminar for Research Training Group QM3, University Bremen (webinar) |
| 06-16-2020 | Data-driven Research: the Fourth Paradigm of Materials Science Werkstoffwissenschaftliches Kolloquium, Erlangen (webinar) |
| 06-03-2020 | New Horizons for Materials Research - Role of FAIR Data Plenary talk at the Conference on a FAIR Data Infrastructure for Materials Genomics, June 3-5, 2020 (virtual meeting). youtube KouShare |
| 12-11-2019 | Verification and Error Estimates for Ab Initio Data Invited talk at the Materials Research Meeting 2019 (MRM2019), Yokohama, Japan, December 10-14, 2019 |
| 11-20-2019 | FAIR data management in materials science ̶ from sample synthesis to artificial-intelligence Invited talk at the workshop on Forschungsdatenmanagement und Maschinelles Lernen in den Ingenieurwissenschaften am Beispiel der Materialwissenschaften, Karlsruhe, Germany, November 19-20, 2019 |
| 11-14-2019 | Computational materials science: From phase diagrams to optical excitations and data-driven research Plenary talk at the Physikerinnentagung, Berlin, Germany, November 14-17, 2019 |
| 11-07-2019 |
All-electron theoretical spectroscopy Diamond Light Source, Oxfordshire, United Kingdom |
| 11-04-2019 | Open and Data-driven Science – the Need for a FAIR Data Infrastructure Plenary talk at the 5th International Conference on Molecular Simulation (ICMS 2019), Jeju, Korea, November 3-6, 2019 |
| 11-01-2019 | Oxides for optoelectronics: A theoretical perspective Seoul National University, Seoul, Korea |
| 10-25-2019 | Theoretical spectroscopy at hybrid interfaces Joint Colloquium of the Center for NanoScience and the Department of Physics, LMU Munich |
| 09-11-2019 | Benchmark Calculations Towards Ultimate Precision in Density-Functional Theory Invited talk at Big Data Summer: A summer school of the BiGmax Network, Platja d’Aro, Spain, September 9-13, 2019 |
| 09-10-2019 | The NOMAD Encyclopedia – a Tool for Exploring Computed Data Invited talk at Big Data Summer: A summer school of the BiGmax Network, Platja d’Aro, Spain, September 9-13, 2019 |
| 09-06-2019 |
The NOMAD Project Invited talk at the workshop Hands-On DFT and Beyond: High-throughput screening and big-data analytics, towards exascale computational materials science, Barcelona, Spain, August 26 – September 6, 2019 |
| 09-02-2019 |
Neutral excitiations Invited talk at the workshop Hands-On DFT and Beyond: High-throughput screening and big-data analytics, towards exascale computational materials science, Barcelona, Spain, August 26 – September 6, 2019 |
| 08-27-2019 | Artificial intelligence in materials science - hype or revolution? Plenary talk at the Joint Annual Meeting of the Swiss Physical Society and the Austrian Physical Sociaty, Zurich, Switzerland, August 26-30, 2019 |
| 08-22-2019 |
Shaping the Fourth Paradigm of Materials Science Invited talk at the 11th International Conference on Magnetic and Superconducting Materials (MSM11), Seoul, Korea, Aug. 17-24, 2019 |
| 06-25-2019 | Excitations at 2D materials and their interfaces IOP CAS - IRIS HU Workshop, Berlin, June 25-26, 2019 |
| 06-17-2019 | Verification and Error Estimates in Ab-initio Calculations Invited talk at the Symposium on Machine Learning in Materials Genome, Spetses, Greece, June 16-21, 2019 |
| 05-31-2019 | Towards the 4th Paradigm of Materials Science Plenary talk at the Bunsentagung 2019, Jena, Germany, May 30 – June 1, 2019 |
| 05-23-2019 | Making scientific data accessible: the NOMAD Laboratory Invited talk at PQ-DFT: workshop on Precision Quantification in DFT, Louvain-la-Neuve, Belgium, May 23-24, 2019 |
| 04-10-2019 | Shaping the fourth paradigm of materials science Colloquium at the Leibniz Institute for Polymer Research, Dresden |
| 03-14-2019 | Theoretical spectroscopy at hybrid interfaces Symposium on Surface Science (3S’19), Baqueira Beret, Spain, March 10-16, 2019 |
| 03-07-2019 | Theoretical spectroscopy at hybrid interfaces – focus on solar-cell materials Invited talk at the International Conference on Interfaces in Organic and Hybrid Thin-Film Optoelectronics, Valencia, Spain, March 5-7, 2019 |
| 02-25-2019 | From electronic-structure theory to data-driven science Physics Colloquium, University of Warsaw, Poland |
| 01-29-2019 | Shaping the forth paradigm of materials science Physics Colloquium, University of Innsbruck, Austria |
| 12-21-2018 | The forth paradigm of materials science University of Technology Vienna, Austria |
| 12-03-2018 | Theoretical spectroscopy at interfaces Advances in Materials Seminar, EPFL, Lausanne, Switzerland |
| 11-04-2018 | Theory of Optical and Core-level Spectroscopy Invited talk at the Exciting Shanghai School, Shanghai, China, November 17-22, 2018 |
| 11-03-2018 | The NOMAD Encycolpedia and Visualization Tools Invited talk at the Exciting Shanghai School, Shanghai, China, November 17-22, 2018 |
| 10-25-2018 | Theoretical spectroscopy at hybrid interfaces Invited talk at the 9th Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications (ASOMEA-IX), Schluchsee, Germany, October 23-26, 2018 |
| 10-19-2018 | How FAIR are data repositories in materials science? Invited talk at the workshop HPC and Data Science for Scientific Discovery, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, October 14-19, 2018 |
| 09-26-2018 | NOMAD: The FAIR Concept for Big-Data-Driven Materials Science MRS Webinar on Data-Centric Science for Materials Innovation |
| 09-25-2018 | Making scientific data accessible: The NOMAD Encyclopedia (video) Invited talk at the CECAM School NOMAD Summer – A hands-on course on tools for novel-materials discovery, Lausanne, September 24-27, 2018 |
| 09-12-2018 | Boosting Materials Science Through Big Data and HPC Tutorial at Science at Extreme Scales: Where Big Data Meets Large-Scale Computing, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, September 12 – December 14, 2018 |
| 08-14-2018 | Theoretical spectroscopy Invited talk at the CAMD Summer School 2018, Marienlyst, Denmark, August 12-17, 2018 |
| 08-04-2018 | An introduction to the NOMAD project Workshop on Excitations in Solids – HoW exciting! 2018, HU Berlin, Germany, July 31 – August 9, 2018 |
| 08-04-2018 | Raman spectroscopy Workshop on Excitations in Solids – HoW exciting! 2018, HU Berlin, Germany, July 31 – August 9, 2018 |
| 07-31-2018 | Density-functional theory Workshop on Excitations in Solids – HoW exciting! 2018, HU Berlin, Germany, July 31 – August 9, 2018 |
| 07-26-2018 | SAM structures of π-conjugated organic molecules: Impact of conformation, packing and substrate on their opto-electronic excitations Invited talk at the Gordon Research Conference on Electronic Processes in Organic Materials, Barga, Italy, July 22-27, 2018 |
| 06-29-2018 | NOMAD: The FAIR Concept for Big-Data Driven Materials Science Invited talk at the Workshop on Machine Learning for Quantum Many-body Physics, Dresden, Germany, June 25-29, 2018 |
| 06-26-2018 | Theory of X-ray Matter Interactions Invited talk at the Ultrafast X-ray Summer Seminar (UXSS) 2018, Stanford, USA, June 24-28, 2018 |
| 06-11-2018 | Probing the LDA-1/2 method for solids and molecules, and as a starting point for the GW approach Invited talk at the Electronic Structure (ES) '18 and the Penn Conference in Theoretical Chemistry (PCTC) '18, Philadephia, June 10-14, 2018 |
| 05-14-2018 | HPC meets Big Data Short plenary talk at the Digital Future 2018, Berlin, Germany, May 14, 2018 |
| 05-06-2018 | Exciting core levels University of Bejaia, Algeria |
| 04-20-2018 | From sharing to data-driven research: The NOMAD Laboratory University of Luxembourg |
| 04-10-2018 | Making scientific data accessible: The materials encyclopedia BigMax Workshop 2018 on Big-Data-Driven Materials Science, Kloster Irsee, Germany, April 10-13, 2018 |
| 03-15-2018 | A significant raw material of the 21st century Plenary talk at the Spring Meeting of the German Physical Society (DPG), Berlin, Germany, March 13-16, 2018 |
| 01-11-2018 | Level alignment at organic/inorganic hybrid interfaces Invited talk at the Symposium on Surface and Nano Science 2017 (SSN’18), Furano, Japan, January 10-14, 2018 |
| 11-21-2017 | Graphene off the Dirac point Plenary talk at the International Workshop on Multifunctional Dirac Materials, Stockholm, November 20-22, 2017 |
| 09-27-2017 | Displaying computed scientific results Invited talk at NOMAD Summer - A hands-on course on tools for novel materials discovery, Berlin, German, September 25-29, 2017 |
| 08-29-2017 | From evaluation of methodology to error bars in computational materials science Invited talk at the 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Munich, Germany, August 27 –Septemper 1, 2017 |
| 08-11-2017 | Excited states by solving the Bethe-Salpeter equation Invited talk at the Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany, July 31-August 11, 2017 |
| 08-08-2017 | Many-body description of electronic excitations: GW & BSE Invited talk at the Summer School on Non-Equilibrium Dynamics of Condensed Matter, St. Peter-Ording, Germany August 7-11, 2017 |
| 08-03-2017 | Linearized augmented planewave methods Invited talk at the Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany, July 31-August 11, 2017 |
| 07-28-2017 | Graphene off the Dirac Point video Invited talk at the SPICE-Workshop on Topology Matters, Mainz, Germany, July 25-28, 2017 |
| 07-18-2017 | Exploring thermoelectric clathrates by a novel cluster expansion method Invited talk at the NSF/CECAM school on Computational Materials Science: From Basics to Applications, Lausanne, Switzerland, July 17-27, 2017 |
| 07-18-2017 | Theoretical Spectroscopy – Focus on GW Invited talk at the NSF/CECAM school on Computational Materials Science: From Basics to Applications, Lausanne, Switzerland, July 17-27, 2017 |
| 07-07-2017 | NOMAD - Big-Data of Materials Science at Extreme Scales Invited talk at the E-CAM Extreme-Scale State-of-the-Art Workshop, Barcelona, Spain, July 6-7, 2017 |
| 06-20-2017 | From High-Performance Computing to Data-Driven Routes towards New Insight into Materials Properties Invited talk at the International Supercomputing Conference (ISC High Performance 2017), Frankfurt, Germany, June 18-22, 2017 |
| 06-07-2017 | Aspects of full-potential all-electron G0W0 quasiparticle calculations Invited talk at the CECAM Workshop on Green’s Function Methods: The Next Generation III, Toulouse, France, June 6-9, 2017 |
| 05-31-2017 | The Novel Materials Discovery (NOMAD) Laboratory Invited talk at the Workshop Computational Materials: Challenges and Future Opportunities, The University of Chicago Center in Paris, France, May 31 – June 2, 2017 |
| 05-24-2017 | Theoretical Spectroscopy at Hybrid Interfaces Colloquium of the Collaborative Research Centre Hybrid Inorganic/Organic Systems for Opto-Electronics, Humboldt Universität zu Berlin, Germany |
| 05-11-2017 | Light-matter interaction in organic/inorganic interfaces: Concepts, challenges, (possible) failures, and successes University Würzburg, Germany |
| 05-09-2017 | Can we plan a scientific career? And how would we do it? Invited talk at the Workshop on Spectroscopy and Dynamics of Photoinduced Electronic Excitations, ICTP, Trieste, Italy, May 8-12, 2017 |
| 05-09-2017 | Many-body approach to core-level excitations Invited talk at the Workshop on Spectroscopy and Dynamics of Photoinduced Electronic Excitations, ICTP, Trieste, Italy, May 8-12, 2017 |
| 05-03-2017 | Graphene revisited from many-body theory: From orbital mapping to its impact as a substrate IFCO Seminar, The Institute of Photonic Sciences, Castelldefels (Barcelona), Spain |
| 04-20-2017 | Data-driven Routes to New Insights into Materials Properties Invited talk at the MRS Spring Meeting 2017, Phoenix, USA, April 17-21, 2017 |
| 03-20-2017 | Many-body effects in X-ray absorption spectra of the sulfur L2,3 edge in Cu2ZnSnS4 Spring Meeting of the German Physical Society (DPG), Dresden, Germany, March 20-24, 2017 |
| 03-15-2017 | Graphene revisited: From orbital mapping to its impact as a substrate Invited talk at the APS March Meeting 2017, New Orleans, USA, March 13-17, 2017 |
| 03-14-2017 | Ab Initio Atomistic Thermodynamics of Adsorbed Atomic H at ZnO(10-10) APS March Meeting 2017, New Orleans, USA, March 13-17, 2017 |
| 01-31-2017 | From high-performance computing to big-data analytics of materials science video Invited talk at the Workshop Big Data Meets Computation, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, January 30 – February 3, 2017 |
| 01-20-2017 | Excitations at Interfaces: Insight from Many-Body Theory PGI-Kolloquium, Peter-Grünberg-Intitut, Forschungszentrum Jülich, Germany |
| 01-18-2017 | From evaluation of methodology to insight from big data Invited talk at the 10th International Conference on Computational Physics, Macao, January 16-20, 2017 |
| 01-13-2017 | A theorist’s view on graphene: From orbital mapping to its role as substrate Invited talk at the Symposium on Surface and Nano Science 2017 (SSN’17), Furano, Japan, January 11-15, 2017 |
| 12-14-2016 | Data repositories and data quality Invited talk at the Culminating Workshop on Machine Learning Meets Many-Particle Problems, Lake Arrowhead, USA, December 11-17, 2016 |
| 10-31-2016 | The NOMAD Laboratory: Aspects of data curation Keynote talk at the CHiMaD 2016 Summit on Data & Analytics for Materials Research, Evanston, USA, Oct. 31 – Nov. 2, 2016 |
| 10-17-2016 | CELL - a novel cluster expansion and its applications to alloys and surface systems Lecture Series of the Collaborative Research Center 1109, Humboldt-Universität Berlin |
| 10-12-2016 | Data-driven materials research: Novel routes to new insight and predictions Plenary talk at the 8th international conference on Multiscale Materials Modeling (MMM), Dijon, France, October 9-14, 2016 |
| 09-30-2016 | Big data in materials science: New tools for getting insight into materials properties and functions video Invited talk at the Workshop on Machine Learning Meets Many-Particle Problems, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, September 26-30, 2016 |
| 09-05-2016 | From big data of materials science to scientific insight: the NOMAD Laboratory Keynote talk at the CECAM Workshop Multiscale Simulation: from Materials through to Industrial Usage, Dublin, Ireland, September 5-7, 2016 |
| 09-02-2016 | From core and valence excitations to orbital mapping: a theorist's perspective Invited talk at the 16th European Microscopy Congress (EMC 2016), Lyon, France, August 28 - September 2, 2016 |
| 08-11-2016 | Novel materials discovery: The NOMAD project Invited talk at the Workshop on Excitations in Solids – HoW exciting! 2016, HU Berlin, Germany, August 3-11, 2016 |
| 07-29-2016 | Pattern recognition, structural similarity, and material maps Invited talk at the BDDMS Workshop, Ringberg, Germany, July 27-30, 2016 |
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07-27-2016 |
Photo-excitation of molecules and their condensed phases from first principles: Examples, concepts, challenges Invited talk at the 621. Heraeus-Seminar, From Photosynthesis to Photovoltaics: Theoretical Approaches for Modelling Supramolecular Complexes and Molecular Crystals, Bad Honnef, Germany, July 27-29, 2016 |
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07-07-2016 |
Theoretical (x-ray) spectroscopy National University of Singapore, Singapore |
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06-28-2016 |
Energy-level alignment and optical excitations at interfaces: Impact of many-body effects Invited talk at the International Conference on Science and Technology of Synthetic Metals 2016 (ICSM2016), Guangzhou, China, June 26 – July 1, 2016 |
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06-10-2016 |
CELL - a novel cluster expansion and its application to thermoelectric clathrates Invited talk at the Reunion Conference on the program Materials for a Sustainable Energy Future, Lake Arrowhead, USA, June 5-10, 2016 |
| 05-12-2016 | Spectroscopy from first principles Keynote talk at the Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan University of Technology, Isfahan, Iran, May 2-13, 2016 |
| 05-05-2016 | Augmented Planewave Methods Keynote talk at the Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan University of Technology, Isfahan, Iran, May 2-13, 2016 |
| 04-11-2016 | Opto-electronic excitations at interfaces between low-dimensional materials Keynote talk at the International Workshop Probing Potential Energy Surfaces, Zermatt, Switzerland, April 10-15, 2016 |
| 03-07-2016 | From surfaces and molecules to interfaces and hybrid materials: Theoretical spectroscopy of low-dimensional systems Overview talk (Hauptvortrag) at the Spring Meeting of the German Physical Society (DPG), Regensburg, Germany, March 7-11, 2016 |
| 03-04-2016 | Opto-electronic excitations at hybrid interfaces Technical University of Denmark, Kopenhagen, Denmark |
| 01-26-2016 | Quantities related to excited-state calculations Invited talk at the CECAM Workshop Towards a Common Format for Computational Materials Science Data, Lausanne, Switzerland, Jan. 25-27, 2016 |
| 01-22-2016 | Excitations at hybrid interfaces: Challenges for first-principles theories Invited talk at the Symposion on Studying surfaces: in vacuo, in situ, in silico, Royal Society of Chemistry London, Jan. 22, 2016 |
| 11-30-2015 | From Sharing to Insight: The NOMAD Project Invited talk at the CECAM Workshop Big Data of Materials Science form First Principles - Critical Next Steps, Lausanne, Switzerland, Nov. 30 – Dec. 4, 2015 |
| 11-26-2015 | Big Data in den Materialwissenschaften: Eine Quelle neuen Wissens Plenary talk at the RDA Deutschland – Treffen, Potsdam, Germany, Nov. 25-26, 2015 |
| 11-12-2015 | Insight through Sharing: Data-driven Materials Research Invited talk at the 6th Workshop on Novel Methods for Electronic Structure Calculations, La Plata, Argentina, Nov. 12-14, 2015 |
| 10-18-2015 | Describing, understanding, and discovering hybrid materials from first principles University of Bejaia, Algeria |
| 10-01-2015 | On the Search for Novel Materials: Insight and Discovery through Sharing of Big Data Plenary talk at the XIV Brazil MRS Meeting, Rio, Brazil, Sep. 27 – Oct. 1, 2015 |
| 09-29-2015 | Theoretical spectroscopy of organic/inorganic interfaces: Concepts and challenge Invited talk at the XIV Brazil MRS Meeting, Rio, Brazil, Sep. 27 – Oct. 1, 2015 |
| 09-24-2015 | Theoretical spectroscopy of π-conjugated molecules and their condensed phases Invited talk at the 51th Symposium on Theoretical Chemistry (STC), Potsdam, Germany, Sep. 20-24, 2015 |
| 09-07-2015 | Aspects of electron-vibrational coupling in electronic-structure theory Invited talk at the Psi-k 2015 Concference, San Sebastian, Spain, Sep. 6-10, 2015 |
| 07-27-2015 | Charged and neutral excitations: GW and the Bethe-Salpeter equation Invited talk at the Summer School of the Max Planck – EPFL Center for Molecular Nanoscience & Technology, Ringberg Castle, July 27-31, 2015 |
| 07-21-2015 | Theoretical spectroscopy of π-conjugated molecules and their condensed phases Plenary talk at the 12th International Symposium on Functional π-Electron Systems (Fπ-12), Seatlle, USA, July 19-24, 2015 |
| 07-15-2015 | Opto-electronic excitations in organic electronic materials: Concepts and challenges Invited talk at the Telluride Science Research Center (TSRC) Workshop Multiscale Simulations of Organic Electronic Materials, Telluride, USA, July 13-17, 2015 |
| 06-11-2015 | Computational design of energy materials: Insight by sharing Invited talk at the Reunion Conference on the program Materials for a Sustainable Energy Future, Lake Arrowhead, USA, June 7-12, 2015 |
| 06-09-2015 | Evaluation of first-principles methodology: From ground state to excitations Invited talk at the Reunion Conference on the program Materials for a Sustainable Energy Future, Lake Arrowhead, USA, June 7-12, 2015 |
| 06-04-2015 | From Sharing to Big-data Analytics: The NoMaD Project Invited talk at the Workshop on Methods and Algorithms in Electronic-Structure Theory, Ringberg Castle, June 3-6, 2015 |
| 06-01-2015 | From Sharing to Big-data Analytics:The NoMaD Project Invited talk at the Platform for Advanced Scientific Computing Conference (PASC2015), Zürich, Switzerland, June 1-3, 1015 |
| 04-30-2015 | Theoretical spectroscopy: Concepts and challenges for novel functional materials Colloquium at the University of Kassel, Germany |
| 02-09-2015 | Organic/Inorganic Hybrid Materials: Challenges for Ab Initio Methodology Invited talk at the Gordon Research Conference on Chemical Reactions at Surfaces, Ventura, USA, February 8-13, 2015 |
| 01-29-2015 | Theoretical Spectroscopy of Molecules and their Condensed Phases Philipps-Universität Marburg, Germany |
| 01-23-2015 | From molecules to their condensed phases: challenges, concepts, and control of their properties Invited talk at the conference Electronic Materials and Applications 2015, Orlando, USA, January 21-23, 2015 |
| 11-27-2014 | Theoretical spectroscopy: Concepts and challenges for novel functional materials C4 Seminar at ETH Zürich, Switzerland |
| 11-12-2014 | Theoretical spectroscopy of molecular materials: from core to valence excitations, and from molecules to organic/inorganic interfaces Colloquium at Tübingen University, Germany |
| 11-11-2014 | Understanding Hybrid Materials: Role of Theory Invited talk at the Adlershofer Forschungsforum, November 11, 2014 |
| 07-23-2014 | Raman scattering and opto-electronic properties Invited talk at the Advanced School on Structure and Multiscale Mechanics of Carbon Nanomaterials, Udine, Italy, July 21-25, 2014 |
| 07-22-2014 | Structural and elastic properties Invited talk at the Advanced School on Structure and Multiscale Mechanics of Carbon Nanomaterials, Udine, Italy, July 21-25, 2014 |
| 07-21-2014 | Bridging the scales: ab initio methodology Invited talk at the Advanced School on Structure and Multiscale Mechanics of Carbon Nanomaterials, Udine, Italy, July 21-25, 2014 |
| 07-17-2014 | Organic/inorganic hybrid materials for opto- electronic and photovoltaic applications: A first-principles perspective Helmholtz Center Berlin, Germany |
| 06-24-2014 | Hybrid materials: Challenges for first-principles theories Invited talk at the Workshop Quatnum Theorie of Solids (QTS-6), Aarhus, Denmark, June 24-26, 2014< |
| 06-18-2014 | White Paper of Theoretical Spectroscopy: From DFT to Many-body Perturbation Theory and Back Invited talk at the Workshop White nights of materials science: From physics and chemistry to data analysis, and back, St. Ptersburg, Russia, June 16-20, 2014 |
| 05-28-2014 | Computational routes towards materials design Colloquium at the University Duisburg-Essen, Duisburg, Germany |
| 04-30-2014 | Computational materials design: Modern alchemy? Invited talk at the Meeting From the Witches Cauldrons in Materials Science, Goslar, Germany, April 29-30, 2014 |
| 04-03-2014 | Core and valence spectroscopy of physisorbed molecules: Role of substrate Invited talk at the Spring Meeting of the German Physical Society (DPG), Dresden, Germany, March 30 – April 4, 2014 |
| 02-20-2014 | Ab initio spectroscopy of molecules and their condensed phases Invited talk at the Workshop on Spectrocopy of Chemical Reactions in Gases and Plasmas, HZB BESSY II, Berlin, Germany, February 20, 2014 |
| 01-17-2014 | Theoretical Spectroscopy Exploiting All-electron Full-potential Methods Invited talk at the Workshop on Theoretical software and analysis tools and software integration for scattering science (SIXNS-III), Seattle, USA, January 17-18, 2014 |
| 12-14-2013 | Exciton dynamics: scientific, conceptual, and computational challenges Invited talk at the Culminating Workshop on Materials for a Sustainalbe Energy Future, Lake Arrowhead, USA, December 8-13, 2013 |
| 11-29-2013 | Opto-electronic excitations in molecular materials: From basic theoretical concepts to organic/inorganic hybrid systems University Bayreuth, Germany |
| 11-22-2013 | Organic molecular materials for light-emitting applications: a first-principles view Invited talk at the Workshop on Energy Conservation and Waste-Heat Recovery, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, November 18-22, 2013 |
| 11-18-2013 | The Solar-Cell Workshop Invited talk at the Workshop on Energy Conservation and Waste-Heat Recovery, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, November 18-2, 2013 |
| 10-28-2013 | From stucture to opto-electronic excitations in organic/inorganic hybrid materials: state-of-the-art and challenges Princeton-HU Workshop, Berlin, October 28, 2013 |
| 09-24-2013 | Computational concepts for organic/inorganic solar cells combining DFT and many-body perturbation theory Invited talk at the Workshop on Solar Cells, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, September 23-27, 2013 |
| 09-09-2013 | Exploring electron-hole pairs in nano-materials Invited talk at the CECAM/Psi-k Research Conference on Multi-scale Modeling from First-Principles, Cap Roig de Platja d’Aro, Spain, September 8-13, 2013 |
| 08-27-2013 | From structure to opto-electronic excitations of organic-inorganic hybrid materials: State of the art and challenges Invited talk at the VIIIth Congress of the International Society of Theoretical Chemical Physics, Budapest, Hungary, August 25-31, 2013 |
| 08-08-2013 | Augmented planewave methods Keynote talk at the Hands-on Tutorial "DFT and beyond", ICTP Trieste, Italy, August 6-15, 2013 |
| 07-24-2013 | Opto-electronic excitations in hybrid materials Invited talk at the CCP9/CECAM-JCMaxwell Workshop, Oxford, United Kingdom July 23-24, 2013 |
| 07-08-2013 | Understanding and discovering hybrid materials from first principles Keynote talk at the 6th International Symposium in Flexible Organic Electronics (ISFOE13), Thessaloniki, Greece July 8-11, 2013 |
| 06-26-2013 | Organic/inorganic hybrid materials for optoelectronic applications: A theoretical perspective Colloquium at the Freie Universität Berlin, Germany |
| 06-05-2013 | Hybrid materials for optoelectronics and photovoltaic applications: Describing, understanding, and discovering them from first principles Colloquium at the University of Freiburg (Saxony), Germany |
| 05-16-2013 | Describing, understanding, and discovering hybrid materials for photovoltaic applications from first principles Invited talk at the Symposium Hybrid Photovoltaics, Berlin, Germany, May 15-17, 2013 |
| 05-09-2013 | Combining the best of two worlds: Organic/inorganic hybrid materials from first principles Invited talk at the 16th Brazilian Workshop on Semiconductor Physics (BWSP 16), Itirapina, Brazil, May 5-10, 2013 |
| 05-03-2013 | Hybrid materials for optoelectronics and photovoltaic applications: Describing, understanding, and discovering them from a theory point of view University of Sao Paulo, Brazil |
| 04-07-2013 | Exploring electron-hole pairs in transition-metal oxides: a theory point of view Invited talk at the Spring Meeting of the American Chemical Society, New Orleans, USA, April 7-11, 2013 |
| 03-15-2013 | Describing, understanding, and discovering hybrid materials from first principles Invited talk at the Spring Meeting of the German Physical Society (DPG), Berlin, March 10-15, 2013 |
| 03-06-2013 | Second-layer island shapes in organic thin film growth: Combining theory and experiments 26th Symposium on Surface Science, Åre, Sweden, March 3-9, 2013 |
| 02-06-2013 | Computational routes towards materials discovery Colloquium of the Center for Computational Sciences Adlershof, Berlin, Germany |
| 11-27-2012 | From Concepts of Theoretical Physics to a Library of Yet Unknown Hybrid Materials Colloquium at the University of Graz, Graz, Austria |
| 10-23-2012 | Organic molecules inside carbon nanotubes: From structural arrangements to their photo-physics Paul-Drude Institut, Berlin |
| 10-03-2012 | Organic p-conjugated molecules inside carbon nanotubes: Nano-sized light-emitting hybrids Invited talk at the CECAM Workshop on Functional Molecules on Surfaces: New Building Blocks for Nano-spintronics (FUNMOL), Bonn, Germany, Oct. 2-4, 2012 |
| 09-27-2012 | From Concepts of Theoretical Physics to a Database of Yet Unknown Nano-Materials Plenary talk at the Conference on Materials Science Engineering (MSE2012), Darmstadt, Germany, Sep. 25-27, 2012 |
| 09-17-2012 | Ab initio Spectroscopy: A Quantum Puzzle Plenary talk at the 12th International Conference on Electron Spectroscopy and Structure (ICESS12), St. Malo, France, Sep. 17-21, 2012 |
| 09-05-2012 | The role of all-electron methods for ground-state and excited-state calculations Invited talk at the CECAM Workshop on Validation and Verification in Electronic Structure Calculations: State of the Art and Perspectives, Lausanne, Switzerland, Sep. 5-7, 2012 |
| 08-04-2012 | Optical excitations in exciting CECAM Tutorial Hands-on Workshop on Electronic Excitations in Solids – HoW exciting!, HU Berlin, Germany, Aug. 2-8, 2012 |
| 08-02-2012 | Augmented-Planewave Methods CECAM Tutorial Hands-on Workshop on Electronic Excitations in Solids – HoW exciting!, HU Berlin, Germany, Aug. 2-8, 2012 |
| 07-10-2012 | From structural arrangements of organic molecules to the photo-physics of organic / inorganic hybrid systems: Challenges for first-principles theories Invited talk at the International Conference on Science and Technology of Synthetic Metals 2012 (ICSM2012), Atlanta, USA, July 9 – 13, 2012 |
| 07-02-2012 | Delocalization of electron-hole pairs: From Frenkel-type to hybrid excitons Invited talk at the 10th International Conference on Excitonic Processes in Condensed Matter, Nanostructured and Molecular Materials (EXCON2012), Groningen, July 2-6, 2012 |
| 06-21-2012 | Organic molecules inside carbon nanotubes: From structural arrangements to their photo-physics Invited talk at the Workshop on Surfaces, Interfaces and Functionalization Processes in Organic Compounds and Applications (SINFO), Parma, June 20-22, 2012 |
| 06-11-2012 | Chaos and Cohesion Invited talk at Börje's Conference on the occasion of the 70th birthday of Börje Johansson, KTH Stockholm, Sweden, June 11, 2012 |
| 05-21-2012 | Excitons in complex systems: Insight from many-body perturbation theory Invited talk at a Minisymposium at the University of Uppsala, Sweden |
| 05-14-2012 | From structural arrangements of organic molecules to the photo-physics of organic/inorganic hybrid systems Colloquium at the University of Kaiserslautern, Germany |
| 03-27-2012 | Excitons in organic semiconductors and organic/inorganic hybrid materials: Insight from many-body perturbation theory Invited talk at the Spring Meeting of the German Physical Society (DPG), Berlin, March 25-30, 2012 |
| 03-11-2012 | Molecules on graphene: A tool for manipulating the Dirac cone? 24th Symposium on Surface Science, St. Christoph am Arlberg, Austria, March 11-17, 2012 |
| 03-01-2012 | Phonon Raman scattering from first principles Invited talk at the APS March Meeting 2012, Boston, USA, February 27 –March 3, 2012 |
| 02-20-2012 | Molecules on surfaces investigated from first principles: From adsorption to opto-electronic properties and optical switching Invited talk at the International Symposium on Molecular Switches, Potsdam, Germany, February 20-22, 2012 |
| 12-15-2011 | Organic molecules inside carbon nanotubes: From structural arrangements to their photo-physics Invited talk at the International Conference on Advanced Materials (ICAM 2012), Coimbatore, India, Dec. 11-16, 2011 |
| 11-17-2011 | Opto-electronic properties of hybrid inorganic/organic interfaces: Challanges for first-principles theories Kolloquium des SFB951, Humbodt-Universität, Berlin |
| 09-26-2011 | Molecules on surfaces: Challenges for first-principles theories for ground state and electronic excitations Invited talk at the 10th Central European Symposium on Theoretical Chemistry (CESTC), Torun, Poland, September 25-28, 2011 |
| 09-13-2011 | Tuning opto-electronic properties of light-emitting peapods Keynote talk at the EUROMAT 2011, European Congress on Advanced Materials and Processes, Montpellier, France, September 12-15, 2011 |
| 08-28-2011 | Organic/inorganic interfaces: Role of van der Waals interactions Invited talk at the Fall Meeting of the American Chemical Society, Denver, USA, August 28 - September 1, 2011 |
| 08-01-2011 | A theorist‘s perspective towards organic film growth Invited talk at the 18th American Conference on Crystal Growth and Epitaxy (ACCGE), Monterey, USA, July 31- August 5, 2011 |
| 07-14-2011 | LAPW and related methods: the example oft he exciting code Invited talk at the Hands-on Tutorial "DFT and beyond", Berlin, Germany, July 12-21, 2011 |
| 07-01-2011 | Cluster expansion and ATAT@WIEN2k Invited talk at the WIEN Workshop, State College, USA, June 28 - July 1, 2011 |
| 06-30-2011 | Excitations in solids: Optical properties, XMCD, GW, and BSE within WIEN2k Invited talk at the WIEN Workshop, State College, USA, June 28 - July 1, 2011 |
| 05-09-2011 | The impact of widely used approximations to the G0W0 method: An all-electron perspective Invited talk at the Workshop Challenges and Solutions in GW Calculations for Complex Systems, CECAM Headquater, Lausanne, Switzerland, June 7 – 10, 2011 |
| 03-07-2011 | Epitaxy of Organic Nano-Fibers on Sheet Silicates: A Growth Model Based on Experiments and Simulations 24th Symposium on Surface Science, Baqueira, Spain, March 6-12, 2011 |
| 02-22-2011 | From molecules to optical properties of organic / inorganic interfaces Keynote talk at the International Max-Planck Research School (IMPRS) Workshop, Ringberg, Germany, February 21-25, 2011 |
| 02-17-2011 | Many-body effects in photo-emission spectra: Role of electron-phonon coupling 26. Workshop Novel Materials and Superconductivity, Planneralm, Austria, February 12-19, 2011 |
| 02-07-2011 | From molecular arrangements to optical properties of organic / inorganic interfaces: Challenges for first-principles approaches Zernike Seminar, Groningen, The Netherlands |
| 01-31-2011 | First-principles approaches to organic and hybrid interfaces: From molecular arrangements to optical properties Invited talk at the Workshop on First Principles Theory and Modeling in organic Electronics, CECAM Headquater, Lausanne, Switzerland, January 31 – February 3, 2011 |
| 01-13-2011 | Many-body effects in photo-emission spectra: Role of electron-phonon coupling Invited talk at the 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy, January 13-15, 2011 |
| 12-07-2010 | Molecules on Surfaces: A Challenge for Ab-initio Theory Colloquium at the University of Ulm, Germany |
| 11-11-2010 | APW-derived basis sets CECAM Tutorial Hands-on Workshop on Electronic Excitations in Solids – HoW exciting!, CECAM Headquater Lausanne, Switzerland, Nov. 11-17, 2010 |
| 10-26-2010 | Stacking Fault Energies of Metals and Metal Alloys Invited talk at the 486. Heraeus Semiar Ab initio Description of Iron and Steel: Mechanical Properties, Ringberg, Germany, October 24-29, 2010 |
| 09-15-2010 | Organic electronics: What do we learn from DFT and where to go beyond? Invited talk at the Yk-2010 Conference, September 12-16, 2010 |
| 09-01-2010 | Molecules on and in Surfaces: A Theorist's Perspective Plenary talk at the 27rd European Conference on Surface Science, ECOSS 27, Groningen, The Netherlands, August 29 – September 3, 2010 |
| 08-18-2010 | What Can First-Principles Theory Contribute to Organic Electronics? Invited talk at the International Forum on Clean Energy, Hefei, China, August 17-19, 2010 |
| 08-17-2010 | Organic electronics: Insight from DFT and methods beyond Dalian Institute for Chemical Physics, China |
| 07-28-2010 | Relativistic effects in the linear optical properties of metals Invited talk at the Spintronic Days, Bilbao, Spain, July 27-28, 2010 |
| 07-08-2010 | Electro-optical properties of nano-peapods: Challenges for ab-initio methods ICAMM 2010, Nantes, France, July 8-10, 2010 |
| 07-07-2010 | Optical properties within WIEN2k Invited talk at the WIEN2k Workshop, Nantes, Fance, July 5-7, 2010 |
| 06-14-2010 | Stability and opto-electronic properties of light-emitting peapods: Challenges for first-principles approaches Center for Computational Materials Science – CMS Vienna, Autria |
| 05-15-2010 | Atomistic Modeling of Growth and Characterization of Organic Films Keynote talk at the Bunsentagung 2010, Bielefeld, Germany, May 13-15, 2010 |
| 05-09-2010 | Theoretical Spectroscopy on Organic Semiconductors Invited talk at the International Symposium on Organic Transistors and Functional Interfaces (OFET 2010), Les Diablerets, Switzerland, May 6-10, 2010 |
| 05-07-2010 | Phonon-induced many-body effects in the quasiparticle band structure Walther-Meißner-Institut für Tieftemperaturphysik, Garching, Germany |
| 03-17-2010 | The role of vdW-interactions for the cohesive properties of the coinage metals APS March Meeting 2010, Portland, USA, March 15-19, 2010 |
| 03-16-2010 | Theoretical challenges towards a quantitative description of organic thin film growth and organic/inorganic interfaces Invited talk at the APS March Meeting 2010, Portland, USA, March 15-19, 2010 |
| 03-09-2010 | Light-emitting Peapods for Photonic Devices 23rd Symposium on Surface Science, St. Christoph am Arlberg, Austria, March 7-13, 2010 |
| 01-14-2010 | The performance of TDDFT for excitation spectra of solids: From optical properties and electron energy loss of simple metals to core-excitations in large-bandgap materials Invited talk at the 4th International Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications, Benasque, Spain, January 11-15, 2010 |
| 09-21-2009 | The exciting code Invited lecture at the Psi-k Training Graduate School, Bristol, UK, September 20-26, 2009 |
| 09-09-2009 | Electron-phonon coupling in (un)conventional superconductors: Its effect on the electronic structure and the role of doping Invited talk at the Workshop Superconductors by the Mediterranean Sea: Classic and Novel Materials, Electronic States and Critical Properties, Alghero, Italy, September 7-11, 2009 |
| 08-28-2009 | Ductility of Tungsten and Tungsten-Rhenium Alloys: An Ab-initio Study Invited talk at the International Conference on Processing & Manifacturing of Advanced Materials: Processing, Fabrication, Properties, Applications (Thermec'2009), Berlin, Germany, August 25-29, 2009 |
| 07-06-2009 | Time-dependent density functional theory versus Bethe Salpeter equation: A materials science point of view Invited talk at the Gordon Research Conference on Time-Dependent Density-Functional Theory, New London, NH, USA, July 5-10, 2009 |
| 06-10-2009 | Light-emitting nono-hybrids: A first-principles study Invited talk at the E-MRS 2009 Spring Meeting, Strasbourg, France, June 8-12, 2009 |
| 05-19-2009 | Strongly bound electron-hole pairs Invited talk at the International Workshop on Quantum Theory of Solids 5 (QTS-5), Aarhus, Denmark, May 18-20, 2009 |
| 04-22-2009 | Organic Opto-electronic Devices: What Can We Learn from Ab-intio Calculations Invited talk at the International Workshop on Quantum Systems and Semiconductor Devices: Analysis, Simulations, Applications, Bejing, China, April 20-24, 2009 |
| 03-27-2009 | First-principles approaches towards organic film growth Invited talk at the Spring Meeting of the German Physical Society (DPG), Dresden, March 22-27, 2009 |
| 03-10-2009 | NaPhoD – Nano-hybrids for Photonic Devices Invited talk at the International Winterschool on Electronic Properties of Novel Materials (IWPNM 2009), Kirchberg, Austria, March 7-14, 2009 |
| 01-29-2009 | First-principles approaches towards an understanding of organic semiconductors Colloquium at the University of Linz, Austria |
| 01-22-2009 | The van der Waals density functional: implementation, applications, performance Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany |
| 12-19-2008 | First-principles approaches towards an understanding of organic semiconductors: From optical properties to film growth Princeton University, USA |
| 12-18-2008 | First-principles approaches to a quantitative description of organic semiconductors: From electronic and optical properties to film growth Rutgers University, USA |
| 12-16-2008 | Quasiparticle band structure induced by electron-phonon interaction: The hydrogen terminated W(110) surface as an example Brookhaven National Lab, USA |
| 12-11-2008 | Strong effects through weak interactions: Optical properties of van-der-Waals bound systems University of Missouri, Columbia, USA |
| 11-20-2008 | The role of electron-phonon coupling in photoemission spectra: an ab-initio study Invited talk at the Meeting on Optical Response in Extended Systems (MORE2008), Vienna, Austria, November 19-21, 2008 |
| 10-13-2008 | Theoretical approaches towards the understanding of organic semiconductors: from electronic and optical properties to film growth Plenary talk at the International Conference on Materials Informatics and DFT, Oran, Algeria, October 11-13, 2008 |
| 09-25-2008 | First-principles approach to the understanding of organic molecular crystals Invited talk at the Symposium on Theoretical Chemistry, Ramsau, Austria, September 23-27, 2008 |
| 09-23-2008 | The many ways of feeding ADAM Invited talk at the Annual Meeting of the Austrian Physical Society, Leoben, Austria, September 23-26, 2008 |
| 07-07-2008 | Theoretical approaches towards a quantitative description of organic film growth Invited talk at the International Conference on Science and Technology of Synthetic Metals (ICSM2008), Porto de Galinhas, Brazil, July 7 – 11, 2008 |
| 07-02-2008 | Optical Properties Including Electron-Hole Correlations; The Bethe-Salpeter Equation in an All-Electron Framework Invited talk at the TEX2008, Nagoya, Japan, July 1-3, 2008 |
| 05-28-2008 | Towards an Ab-initio Description of Organic Film Growth Invited talk at the E-MRS 2008 Spring Meeting, Strasbourg, France, May 26-30, 2008 |
| 05-21-2008 | Ab-initio calculations – an engineering tool? Invited talk at the First annual workshop for HERO-M, Saltsjöbaden, Sweden, May 21-22, 2008 |
| 04-24-2008 | What Can Theory Contribute to Organic Devices? Invited talk at the 1. Nanoforum 2008, Weiz, Austria, April 24, 2008 |
| 04-21-2008 | Theoretical Approaches towards Organic Film Growth Invited talk at the Minisymposium on Multiscale Modelling and Simulation, University of Erlangen-Nürnberg, Germany, April 21-23, 2008 |
| 03-29-2008 | Excitonic effects in semiconductors Invited talk at the WIEN2k Workshop, Vienna, Austria, March 26-29, 2008 |
| 03-27-2008 | The calculation of optical properties Invited talk at the WIEN2k Workshop, Vienna, Austria, March 26-29, 2008 |
| 03-12-2008 | Exploring Exact Exchange for collinear and non-collinear magnetism Invited talk and Beller Lectureship at the APS March Meeting 2008, New Orleans, USA, March 10-14, 2008 |
| 03-04-2008 | Step edge barrier in organic thin film growth Symposium on Surface Science, St. Christoph am Arlberg, Austria, March 2-8, 2008 |
| 10-04-2007 | Band structure effects induced by electron-phonon coupling Uppsala University, Sweden |
| 09-29-2007 | Ab-initio methods towards electron-phonon coupling and superconductivity Keynote talk at the International Conference on Magnetic and Superconducting Materials (MSM 2007), Khiva, Uzbekistan, September 25-30, 2007 |
| 08-25-2007 | Exact Exchange for Non-collinear Magnetism Invited talk at the Euro-Asian Symposium Magnetism on a Nanoscale (EASTMAG-2007), Kazan, August 23-26, 2007 |
| 08-10-2007 | Electronic structure and properties of organic semiconductors Kirensky Insitute of Physics, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, Russia |
| 07-31-2007 | Tailoring the Optical Properties of Organic Semiconductors Invited talk at the International Conference on Optical, Optoelectronic and Photonic Materials and Applications (ICOOPMA 2007), London, July 30 - August 3, 2007 |
| 06-18-2007 | Organic semiconductors: structural, electronic, and optical properties from first-principles Naval Research Laboratory, Washington DC, USA |
| 06-13-2007 | Excited states properties within Wien2k and beyond Invited talk at the international workshop WIEN2007 - WIEN2k Workshop@PennState, June 11-14, 2007 |
| 05-14-2007 | First-principles approach towards organic thin film growth University of Graz, Austria |
| 04-23-2007 | Band splitting induced by electron-phonon interaction Invited talk at the International Workshop on Strong Correlations and Angle-Resolved Photoemission Spectroscopy (corpes07), Dresden, April 23-27, 2007 |
| 03-11-2007 | Surfaces and Interfaces of Organic Films: The Importance of van der Waals Interaction 20th Symposium on Surface Science, Les Arcs, March 11-17, 2007 |
| 02-08-2007 | Theoretical Spectroscopy The Physics Colloquium at the University of Groningen, The Netherlands |
| 01-31-2007 | How to calculate the electronic structure of organic semiconductors? Tutorial at the Winterschool on Organic Electronics, Planneralm, Jan. 28 – Feb. 2, 2007 |
| 01-18-2007 | Combining Density Functional Theory with Manybody Perturbation Theory: Excitonic Effects Studied by the Bethe-Salpeter Equation Invited talk at the International Symposion on Low Energy Spectroscopy (LESS 2007), Vienna, Jan. 18-19, 2007 |
| 11-09-2006 | Electron-Hole Excitations in Organic Semiconductors: Review and Outlook Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany |
| 10-30-2006 | Excited states within density functional theory: Excitonic effects in organic semiconductors Colloquium at the University of Regensburg, Germany |
| 09-19-2006 | The Bethe Salpeter Equation applied to organic semiconductors: a critical review Invited talk at the 11th Nanoquanta Workshop, Houffalize, Belgium September 18-23, 2006 |
| 09-06-2006 | What can we learn from the exact exchange method? Invited talk at the international workshop on Density functional theory meets strong correlations, Montauk, NY, USA, September 5-8, 2006 |
| 09-10-2006 | The role of core levels in the excitation spectra of solids Invited talk at the International Workshop on TDDFT: Prospects and Applications, Benasque, Spain, August 27 – September 11, 2006 |
| 04-19-2006 | Optical Properties within the LAPW Method Invited talk at the WIEN2k Workshop Vienna, April 18-19, 2006 |
| 03-16-2006 | Optimized Effective Potential Method for Non-collinear Magentism APS March Meeting 2006, Baltimore, March 13-17, 2006 |
| 03-14-2006 | Excitonic effects in molecular crystals built up by small organic molecules APS March Meeting 2006, Baltimore, March 13-17, 2006 |
| 02-13-2006 | Exact exchange within an all-electron framework: applications to semiconductors and magentic metals 21. Workshop Novel Materials and Superconductivity, Planneralm, 11.2.-18.2.2006 |
| 12-12-2005 | Optical absorption of organic semiconductors: an ab-initio study Institute for Polymers and Organic Solids, University of California Santa Barbara, Santa Barbara, USA |
| 11-05-2005 | Excited states: time-dependent DFT, self-energies in the GW approximation, and evaluating the Bethe-Salpeter equation Invited talk at the Workshop on Density-Functional Theory Calculations for Modeling Materials and Bio-Molecular Properties and Functions - A Hands-on Computer Course, IPAM, UCLA, Los Angeles, USA, October 30 – November 5, 2005 |
| 11-04-2005 | Electron-phonon coupling Invited talk at the Workshop on Density-Functional Theory Calculations for Modeling Materials and Bio-Molecular Properties and Functions - A Hands-on Computer Course, IPAM, UCLA, Los Angeles, USA, October 30 – November 5, 2005 |
| 09-09-2005 | Optical absorption of low-dimensional organic semiconductors: an ab-initio study Invited talk at the 23rd European Conference on Surface Science, ECOSS 23, Berlin, Germany, September 4–9, 2005 |
| 06-02-2005 | How important is the electron-hole interaction in the absroption spectra of organic semiconductors? Donostia International Physics Center, San Sebastian, Spain |
| 04-04-2005 | Good news from EXX? Invited talk at the International Workshop Probing Potential Energy Surfaces, Zermatt, Switzerland, April 3-8, 2005 |
| 03-15-2005 | Manybody effects in the optical absorption of low-dimensional systems Universität Innsbruck, Austria |
| 03-24-2005 | Dichtefuntionaltheorie – eine Toolbox zur Untersuchung von Materialien Montanuniversität Leoben |
| 02-08-2005 | Coulomb interaction in the optical response of semiconductors Uppsala University, Schweden |
| 02-03-2005 | On the creation of holes in the high Tc cuprates KTH Stockholm, Schweden |
| 12-06-2004 | Ab-initio study of excitonic effects in conventional and organic semiconductors Latin American Symposium on Solid State Physics (SLAFES), Havana, Cuba, December 6-9, 2004 |
| 11-30-2004 | Computational Spectroscopy Technische Universität Wien |
| 07-14-2004 | Augmented Planewave Methods Invited Talk at WIEN2004 – WIEN2k Workshop @ PennState, July 12-15, 2004 |
| 07-14-2004 | Optical Properties within the LAPW Method Invited Talk at WIEN2004 – WIEN2k Workshop @ PennState, July 12-15, 2004 |
| 06-28-2004 | On the nature of the lowest optical absorption in organic semiconductors International Conference on Science and Technology of Synthetic Metals (ICSM2004), Wollongong, Australia, June 28 – July 2, 2004 |
| 06-21-2004 | The role of doping and pressure in Hg based high Tc cuprates: a theoretical study Invited talk at the 7-th International Workshop on High-Temperature Superconductors and Novel Inorganic Materials Engineering (MSU-HTSC VII), Moscow, Russia, June 20-25, 2004 |
| 02-26-2004 | The role of doping and pressure in Hg based high Tc cuprates 19. Workshop Novel Materials and Superconductivity, Planneralm, Austria, February 22-28, 2004 |
| 01-23-2004 | Material Design with the Computer Technologieseminar, Austrian Microsystems, Unterpremestätten |
| 11-18-2003 | Excitonic effects in organic semiconductors Departamento de Física Téoretica de la Materia Condensada, Universidad Autónoma de Madrid |
| 10-01-2003 | Vanadium-Leiter-Verbindungen: ein Wechselspiel zwischen Ladung, Spin und Kristallgitter Festkörper-Fachausschuss der Österreichischen Physikalischen Gesellschaft, Invited talk at the Annual Meeting of the Austrian Physical Society, Salzburg, 1.-2. Oktober 2003 |
| 09-01-2003 | First-principles study on the creation of holes in high Tc superconductors Invited talk at the third International Conference on Magnetic and Superconducting Materials (MSM03), Monastir, Tunesia, September 1-5, 2003 |
| 06-24-2003 | Augmented planewave methods Invited talk at the EXC!TING summerschool DFT beyond the groundstate, Riksgränsen, Sweden, June 22-30, 2003 |
| 06-17-2003 | Hole doping and inhomogeneous charge distribution in high Tc cuprates investigated from first principles Invited talk at the international conference Dynamic inhomogeneities in complex oxides, Bled, Slovenia, June 14-20, 2003 |
| 05-15-2003 | >Screening and excitonic effects: the GW / BSE approach within the LAPW method Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany |
| 04-26-2003 | Excitonic effects in semiconductors WIEN-Workshop APW+lo calculations with the new WIEN2k code, Vienna, April 23-26 2003 |
| 04-24-2003 | Optical properties of solids Invited talk at the WIEN-Workshop APW+lo calculations with the new WIEN2k code, Vienna, April 23-26 2003 |
| 04-24-2003 | Forces and Phonons Invited talk at the WIEN-Workshop APW+lo calculations with the new WIEN2k code, Vienna, April 23-26 2003 |
| 04-07-2003 | Density functional study of hole doping in superconductors Max-Planck-Institut für Festkörperfoschung, Stuttgart, Germany |
| 01-30-2003 | Materialdesign auf dem Computer Institut für Physik, Montanuniversität Leoben |
| 01-14-2003 | DFT studies of material properties beyond the groundstate Physikalisches Kolloquim der Universität Graz und TU Graz |
| 07-23-2002 | Optical Properties of Solids Invited talk at the international workshop WIEN2002–WIEN2k Workshop@PennState, July 22-25, 2002 |
| 06-11-2002 | Hole doping in high temperature superconductors International Conference on Electronic Structure Theory in honor of the 60th birthday of Prof. B. Johansson, Uppsala, June 10-11, 2002 |
| 04-26-2002 | EXCITING: DFT beyond the Ground State Condensed Matter Theory Group, University Uppsala, Sweden |
| 04-05-2002 | Towards a first-principles description of excited states: the idea of an EXCITING network Kick-off meeting for the EU network EXCITING, Graz, 4.-7. April 2002 |
| 12-17-2001 | First-Principles Studies towards Materials' Design: Structural, Electronic, and Optical Properties of Molecular Crystals University Modena, Italy |
| 09-26-2001 | Optical properties of solids Invited talk at WIEN-Workshop APW+lo calculations with the new WIEN2k code, Vienna, September 23-26 2003 |
| 09-26-2001 | Forces and Phonons Invited talk at the WIEN-Workshop APW+lo calculations with the new WIEN2k code, Vienna, September 25-29 2003 |
| 07-20-2001 | Theoretical tools for the understanding and design of molecular crystals The Abdus Salam International Centre for Theoretical Physics |
| 05-14-2001 | First-principles studies towards material design: structural, electronic,and optical properties of molecular crystals Chalmers University of Technology, Gothenburg, Sweden |
| 04-19-2001 | Polymers and Molecular Crystals: Understanding and Prediction of their Properties Physikalisches Kolloquium der Martin-Luther-Universität Halle-Wittenberg und des Max-Planck-Instituts für Mikrostrukturforschung, Halle, Germany |
| 12-07-2000 | Computer Experiments on High Temperature Superconductors Uppsala University, Sweden |
| 11-27-2000 | Polymers and Molecular Crystals: Understanding and Prediction of their Properties Ångströmlaboratoriet, Uppsala University, Sweden |
| 11-08-2000 | Computer-Experimente an Hochtemperatursupraleitern University Vienna, Austria |
| 08-26-2000 | Ab-initio study of the oxygen ordering in YBa2Cu307-x PsiK 2000 Conference: Ab initio calculation of complex processes in materials, Schwäbisch Gmünd, Germany, 22.-26.8.2000 |
| 07-17-2000 | Doping effects on the electronic and structural properties of poly(para-phenylene) investigated from first principles International Conference on Science and Technology of Synthetic Metals (ICSM2000), Bad Gastein, Austria, 15.-21.7.2000 |
| 07-25-2000 | Theoretical approach to spectroscopic methods based on density functional theory International Workshop on physical properties in matter by x-ray absorption and emission spectroscopy, Osaka, Japan, 24.-26.7.2000 |
| 07-04-2000 | Structural aspects of high Tc cuprates and their relation to the electronic properties investigated from first-principles Forschungszentrum Karlsruhe, BRD |
| 04-28-2000 | First-principles study of the phase diagram of YBa2Cu306+x Invited talk at the WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 26.-29.4.2000 |
| 04-28-2000 | Optical properties of solids within the LAPW method Invited talk at the WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 26.-29.4.2000 |
| 04-27-2000 | Forces and Phonons Invited talk at the WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 26.-29.4.2000 |
| 01-28-2000 | Density functional theory: a powerful tool for the investigation of materials´ properties Condensed Matter Theory Group, University Uppsala, Sweden |
| 01-22-2000 | Density functional theory: a powerful tool for the investigation of materials´ properties Naturvetenskap 2000, Ångströmlaboratoriet, University Uppsala, Sweden |
| 10-17-1999 | DFT calculations: a powerful tool for the quantitative interpretation of experiments Institut für Festkörperphysik, ETH Zürich, Switzerland |
| 09-29-1999 | First-principles investigations of structural properties, phonons, and vacancy ordering in YBa2Cu307-x First Regional Conference on Magnetic and Superconducting Materials, Teheran, Iran, September 27-30, 1999 |
| 04-18-1999 | Ab initio investigation of polymers and oligomers Invited talk at the International Workshop Probing Potential Energy Surfaces, Zermatt, Switzerland, 17.-23.4.1999 |
| 04-10-1999 | Ab initio investigation of polymers and oligomers Invited talk at the WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 7.-10.4.1999 |
| 04-08-1999 | Optical properties of solids within the LAPW method Invited talk at the WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 7.-10.4.1999 |
| 04-08-1999 | Forces and Phonons WIEN-Workshop Full-potential LAPW calculations with the WIEN97 code, Vienna, 7.-10.4.1999 |
| 11-13-1998 | First-principles investigations of poly(para-phenylene) and its oligomers Condensed Matter Theory Group, University Uppsala, Sweden |
| 10-22-1998 | First-principles investigations of poly(para-phenylene) and its oligomers Instituto de Fisica de Universidade Sao Paolo, Brazil |
| 10-15-1998 | Volume optimization of YBa2Cu307 and its influence on the vibronic and electronic properties within the LAPW method Comision Nacional de Energia Atomica, Bariloche, Argentina |
| 10-13-1998 | First-principles investigations on the relation between structural and electronic properties of solids Comision Nacional de Energia Atomica, Buenos Aires, Argentina |
| 10-09-1998 | Exact exchange within the LAPW method Comision Nacional de Energia Atomica, Buenos Aires, Argentina |
| 10-09-1998 | On Optical Properties Invited Talk at the Workshop Calculo de propiedades electronicas y dinamicas de materiales: Metodos computacionales ab-initio, Universidad de San Martin, Buenos Aires, Argentina, 5.-16.10.1998 |
| 10-08-1998 | On Forces and Phonons Invited Talk at the Workshop Calculo de propiedades electronicas y dinamicas de materiales: Metodos computacionales ab-initio, Universidad de San Martin, Buenos Aires, Argentina, 5.-16.10.1998 |
| 09-07-1998 | First-principles investigations of poly(para-phenylene) and its oligomers: relation between structural and optical properties Dipartimento di Fisica, University Modena, Italy |
| 06-29-1998 | Optical Properties Invited Lecturer at the Workshop on The Physics of the Electronic Behaviour in the Core Region: All-Electron LAPW Electronic Structure Calculations, ICTP Trieste, Italy, 22.6.-4.7.1998 |
| 06-24-1998 | Forces and Phonons Invited Lecturer at the Workshop on The Physics of the Electronic Behaviour in the Core Region: All-Electron LAPW Electronic Structure Calculations, ICTP Trieste, Italy, 22.6.-4.7.1998 |
| 04-23-1998 | Volume optimization of YBa2Cu307 and its influence on the vibronic and electronic properties within the LAPW method Condensed Matter Theory Group, University Uppsala, Sweden |
| 03-25-1998 | Volume optimization of YBa2Cu307 and its influence on the vibronic and electronic properties within the LAPW method Complex Systems Theory Branch, Naval Research Laboratory, Washington DC, USA |
| 03-23-1998 | LAPW investigations of vibronic and optical properties of Y-Ba-Cu-O compounds: How precise are LDA calculations Department of Physics, University of California - Davis, Davis, USA |
| 03-19-1998 | Volume optimization of YBa2Cu307 and its influence on the vibronic and electronic properties within the LAPW method March Meeting 1998 of the American Physical Society, Los Angeles, USA, 16.-20.3.1998 |
| 11-12-1997 | LAPW investigations of vibronic and optical properties of Y-Ba-Cu-O compounds Invited talk at the Int. Workshop: Quantum Theory of Solids 4, QTS-4, Aarhus, Denmark, 12.-15.11.1997 |
| 10-08-1997 | First-principles band structure calculations: a tool for the quantitative interpretation of experiments Int. Workshop on Science and technology of electroactive organic materials, Obdach, 8.-10.1997 |
| 07-03-1997 | The calculation of optical properties within WIEN97 Third HCM - Workshop Full-Potential LAPW calculations with the new WIEN97 code, Wien, 1.-5.7.1997 |
| 06-13-1997 | First-principles band structure calculations as a tool for the quantitative interpretation of Raman spectra: phonons, electron-phonon interaction and Raman spectra Int. Workshop on Electron-phonon interaction and phase transitions, Erice, Italy, 9.-15.6. 1997 |
| 03-21-1997 | First-principles investigations on the relation between structural and electronic properties of solids Steacie Institute for Molecular Science, National Research Council of Canada, Ottawa, Canada |
| 04-13-1996 | Investigations of phonons by atomic-force calculations: A1g modes in YBa2Cu307 Second HCM - Workshop Full-Potential LAPW calculations with the WIEN95 code, Wien, 9.-13.4.1996 |
| 06-25-1996 | Ab-initio Untersuchungen über den Zusammenhang zwischen strukturellen und elektronischen Eigenschaften von Festkörpern Habilitationskolloquium am Institut für Theoretische Physik der Universität Graz |
| 06-10-1996 | Optische Eigenschaften von halbleitenden Polymeren im Rahmen der Dichtefunktionaltheorie Hahn-Meitner-Institut, Berlin, BRD |
| 02-09-1996 | Optische Eigenschaften von Festkörpern im Rahmen der LAPW-Methode Institut für Theoretische Physik, Freie Universität Berlin, BRD |
| 11-09-1995 | Optical and structural properties of poly(para-phenylene) by first-principles calculations and experimental results Istituto di Spettroscopia - C.N.R., Bologna, Italy |
| 09-20-1995 | Ab-initio Untersuchungen optischer und struktureller Eigenschaften von kristallinem Polyparaphenylen Vortrag anläßlich der Verleihung des Ludwig-Boltzmann-Preises der Österreichischen Physikalischen Gesellschaft, Jahrestagung der ÖPG, Leoben |
| 09-19-1995 | Ab-initio Berechnungen der elektronischen Struktur von Festkörpern Jahrestagung der Österreichischen Physikalischen Gesellschaft, Leoben |
| 04-22-1995 | Optical properties by means of LDA band structure calculations HCM – Workshop WIEN95, Full-Potential LAPW calculations with the WIEN95 code, Wien |
| 12-05-1994 | Der Einfluß des Apex-Sauerstoffes auf die elektronischen Eigenschaften von YBa2Cu307 in Verbindung mit der Ramanstreuung Institut für Angewandte Physik, Universität Hamburg, BRD |
| 09-06-1994 | The role of the apex oxygen for the electronic properties of YBa2Cu307 and its relation to Raman scattering Invited talk at the International Workshop on Anharmonic Properties of High-Tc Cuprates, Bled, Slowenien, 1.-6.9.1994 |
| 07-25-1994 | Optical and electronic properties of poly(p-phenylene) by first principles calculations and experimental results Invited talk at the International Conference on Science and Technology of Synthetic Metals (ICSM'94), Seoul, Korea, 24.-29.7.1994 |
| 03-25-1994 | Ab-initio-Theorie der optischen und elektronischen Eigenschaften von ein- und dreidimensionalem Polyparaphenylen Frühjahrstagung des Arbeitskreises Festkörperphysik bei der DPG, Münster, BRD |
| 01-20-1994 | Elektronische und optische Eigenschaften von Polyparaphenylen aus ab-initio-Bandstrukturrechnungen Institut für Festkörperphysik, TU Graz |
| 10-28-1993 | The role of the apical oxygen in YBa2Cu307 investigated by LAPW band structure calculations Istituto di Spettroscopia - C.N.R., Bologna, Italy |
| 08-11-1993 | Lattice dynamical potential of the apical oxygen in YBa2Cu307 XX International Conference on Low Temperature Physics (LT20), Eugene, Oregon, USA, 4.-11.8.1993 |
| 07-09-1993 | Elektronische Struktur von Hochtemperatursupraleitern Bandstrukturdaten im Vergleich zu Experimenten Walther-Meißner-Institut für Tieftemperaturphysik, Garching, BRD |
| 05-19-1993 | Elektronische Eigenschaften von Hochtemperatursupraleitern Bandstrukturdaten im Vergleich zu Experimenten Ludwig Boltzmann - lnstitut für Festkörperforschung, Wien |
| 02-25-1993 | Elektronische Struktur und Gitterdynamik von leitenden Polymeren 2. Supercomputing - Tag, TU Graz |
| 06-20-1991 | Anwendungen von Parallelcomputern in der Physik Arbeitskreis Paralleles Rechnen, Universität Graz |
| 06-07-1990 | Ladungsverteilung und Feldgradienten in YBa2Cu307-x Institut für Festkörperphysik, TU Graz |
| 12-13-1989 | Electric field gradient calculations for YBa2Cu307-x Max-Planck-Institut für Festkörperforschung, Stuttgart, BRD |
| 02-24-1989 | Electronic structure of YBa2Cu307 4. Workshop Hochtemperatursupraleiter, Mallnitz, 20.-24.2.1989 |
Ab Initio Atomistic Thermodynamics of Adsorbed Atomic H at ZnO(10-10)
APS March Meeting 2017, New Orleans, USA, March 13-17, 2017