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People currently working in our group:

Andris Gulans
Markus Scheidgen
Archana Manoharan
Christian Vorwerk
Claudia Draxl
Dmitrii Nabok
Helen Jurscha
Lorenzo Pardini
Maria Troppenz
Nora Illanes Salas
Olga Turkina
Pasquale Pavone
Santiago Rigamonti
Benedikt Hoock
Sven Lubeck
Eric Pierschel
Georg Huhs
Jungho Shin
Konstantin Lion
Martin Kuban
Sebastian Tillack
Axel Hübner
Ka Wai Lau
Saeideh Edalati-Boostan
Fabio Caruso
  • Andris Gulans
  • Markus Scheidgen
  • Archana Manoharan
  • Christian Vorwerk
  • Claudia Draxl
  • Dmitrii Nabok
  • Helen Jurscha
  • Lorenzo Pardini
  • Maria Troppenz
  • Nora Illanes Salas
  • Olga Turkina
  • Pasquale Pavone
  • Santiago Rigamonti
  • Benedikt Hoock
  • Sven Lubeck
  • Eric Pierschel
  • Georg Huhs
  • Jungho Shin
  • Konstantin Lion
  • Martin Kuban
  • Sebastian Tillack
  • Axel Hübner
  • Ka Wai Lau
  • Saeideh Edalati-Boostan
  • Fabio Caruso

Talks

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
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’17) , 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
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
05-03-2017 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

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

07-07-2016

Theoretical (x-ray) spectroscopy
National University of Singapore, Singapore

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

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
10-08-1988 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