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Theory of Functional Energy Materials

Prof. David Egger

Research Field

We conduct research on atomistic theories of functional materials that drive energy devices such as solar cells. One goal of our work is the discovery of new energy materials which would, for example, allow for a more efficient conversion of sunlight into electricity. To this end, we develop and apply various theoretical methods, such as electronic-structure and molecular-dynamics techniques. These are used for calculating the properties of molecules, solid-state materials as well as nanostructured interfaces.


James-Franck-Str. 1/I
85748 Garching b. München

Members of the Research Group


Photo von Prof. Dr. David Egger. Prof. Dr. David Egger 077 +49 89 289-12390 E-Mail


Photo von Carola Kappauf. Carola Kappauf +49 89 289-14627 E-Mail


Photo von Sebastian Caicedo Davila. Dr. Sebastian Caicedo Davila +49 89 289-14624 E-Mail
Photo von Federico Delgado M.Eng.. M.Eng. Frederico Delgado +49 89 289-14642 E-Mail
kein Photo vorhanden M.Sc. Manuel Grumet +49 89 289-12468 E-Mail
Photo von Franziska Hegner. Franziska Hegner +49 89 289-14642 E-Mail
kein Photo vorhanden M.Sc. Maximilian Schilcher +49 89 289-12466 E-Mail
kein Photo vorhanden M.Sc. Martin Schwade +49 89 289-12466 E-Mail
kein Photo vorhanden M.Sc. Xiangzhou Zhu +49 89 289-14624 E-Mail

Other Staff

kein Photo vorhanden Ph.D. Bernhard Kretz +49 89 289-12467 E-Mail
kein Photo vorhanden Christian Reveron Baecker E-Mail
kein Photo vorhanden M.Sc. Stefan Seidl +49 89 289-14623 E-Mail


Course with Participations of Group Members

Current and Finished Theses in the Group

Theoretical Characterisation of Electronic Structure and Lattice Dynamics in Bismuth Vanadate
Abschlussarbeit im Masterstudiengang Physik (Physik der kondensierten Materie)
Themensteller(in): David Egger
Investigating the Electrified Metal/Electrolyte-Interface via Molecular Dynamics Simulations with Potential Control
Abschlussarbeit im Bachelorstudiengang Physik
Themensteller(in): David Egger
Assessing the Accuracy of Machine-Learned Force Fields in Modeling Doping Effects in Na3SbS4
Abschlussarbeit im Masterstudiengang Physics (Applied and Engineering Physics)
Themensteller(in): David Egger
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