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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

Research

Our research interests cover theorectical concepts and methodology, the development of computer codes, and their application to answer questions related to a variety of materials and their properties.

We mainly deal with all-electron full-potential methods of density-functional theory (DFT), in particular the (linearized) augmented planewave + local orbital (L)APW+lo method as implemented in the exciting package that is developed in the group.

A particular focus of the group concerns the quantum-based description of radiation-matter interaction. The underlying methodology is many-body perturbation theory and time-dependent DFT (TDDFT). Our approches of theoretical spectroscopy cover various types of excitations, like photoemission, optical and X-ray absorption, electron-loss spectroscopy, and Raman scattering. The latter connects to another core area that is electron-phonon coupling.

Selected third-party funded projects:

  • Collaborative Research Project HIOS (sfb 951)
  • Collaborative Research Project on Molecular Switches on Surfaces (sfb 658)
  • ETERNAL: Exploring Thermoelectric Properties of Novel Materials
  • MatSEC (Materials for Solar Energy Conversion): graduate school, HZB
  • Hybrid4Energy: joint graduate school of HU Berlin and HZB
  • NOMAD Laboratory (Novel Materials Discovery): EU Center of Excellence
  • INFORM