Welcome to our website!

We use and develop modern theoretical tools to describe functional energy materials at the microscopic level. Our goal is to understand and predict electronic, optical, and dynamical properties in a wide range of complex materials systems. These include hybrid molecule-metal interfaces, halide perovskites, organic semiconductors, ion conductors and more. To this end we combine quantum-mechanical approaches, molecular dynamics, and state-of-the-art computational techniques, see research section.

We are looking for M.Sc. students – see here.

Group News

27.04.2020: We warmly welcome Stefan Böhm as a BSc student in our group.

20.04.2020: The group welcomes Karina Houska, who will work on her B.Sc. project with us.

18.03.2020: David becomes a Fellow of the Young Academy of Europe.

16.03.2020: The entire group works in home office now.

02.03.2020: A warm welcome to Manuel Grumet, who joins our group as a graduate student.

31.01.2020: Great start for the new year: superb team effort of Daniel with our collaborators from the Weizmann Institute makes it into Advanced Materials.

10.12.2019: We celebrated the upcoming end of 2019 with a Christmas party and curling in the Hirschgarten!

06.12.2019: Another paper with our collaborators from the Weizmann Institute was posted on arXiv.

21.11.2019: Our first paper on solid ion conductors with friends from the Weizmann Institute was posted on arXiv.

28.10.2019: Our group welcomes its newest member, Xiangzhou Zhu, who joins us as a graduate student.

02.10.2019: David becomes a PI in the SolTech initiative.

12.09.2019: Congratulations to Berni who received a poster prize at the e-conversion meeting in Venice!

30.08.2019: Lisi’s paper on magnetic configurations at molecule-metal interfaces was published in Physical Review Materials.

22.07.2019: David joins the e-conversion excellence cluster at TUM!

17.07.2019: Christian’s paper on disorder and Urbach energies in halide perovskites has appeared in Nature Communications – see also a news article in German by the University of Regensburg.

12.07.2019: We had our first group outing in Munich to celebrate Hubert’s completed thesis and our start at TUM.

10.07.2019: Our paper on the charge transport through self-assembled monolayers with collaborators from Singapore and Heidelberg was published.

17.06.2019: New city & new group name: our move to TUM has been completed.

03.06.2019: We are very happy to welcome our new group member, Carola Kappauf, who will support our office duties.

13.05.2019: David has accepted a position in the Department of Physics at TUM and we are moving to Munich! Our farewell party with colleagues & friends was the last chance for a group picture in Regensburg.

03.02.2019: Christian’s paper on disorder and Urbach energies in perovskites was posted on arXiv.

01.02.2019: We are happy to be part of a new priority program that will fund perovskite research in Germany.

28.01.2019: Hubert’s benchmark study on structure and binding in halide perovskites has been deposited on arXiv.

01.12.2018: We are very happy to welcome our new group member Lisi Wruß, who will be working as a postdoctoral fellow with us.

17.10.2018: To say Goodbye to Arun, and to welcome Berni and Daniel, our group recently went on a hike in the lovely Laber valley close to Regensburg.

10.10.2018: A paper with our collaborators from the Weizmann Institute and the University of Pennsylvania on defects in halide perovskites has been deposited on arXiv.

02.10.2018: Max, Christian and David attended the PSCO meeting in Lausanne – we had fun!

01.10.2018: A warm welcome to the new members of our group, Daniel Angerer and Bernhard Kretz.

27.08.2018: Part of our group visited the lab of Omer Yaffe at the Weizmann Institute of Science.

16.07.2018: We are very happy to welcome Arun Sagotra from UNSW Sydney, who is visiting us for the next three months.

29.06.2018: The CMS group visited the impressive Schulerloch cave near Kelheim.

24.05.2018: A paper by David on antimony halide perovskites has been deposited on arXiv.

22.05.2018: We received startup funding within the UR Fellows Program for launching an interdisciplinary initiative with colleagues in experimental physics and chemistry!

14.05.2018: Our group had some exciting days discussing science and hiking along the Danube with our visitor Prof. Andrew Rappe from the University of Pennsylvania.

09.05.2018: Welcome to Harikrishnan K.P from IIT Bombay who is visiting us this summer!

30.04.2018: We are grateful to receive computing time for JUWELS, Jülich supercomputing center.

25.04.2018: David delivers the keynote lecture at the network meeting of the Alexander von Humboldt Foundation in Regensburg.

22.03.2018: What remains unexplained about the properties of halide perovskites? Click here to find out.

12.03.2018: Hubert Beck has joined the group for his M.Sc. thesis, welcome Hubert!

08.02.2018: Our group celebrated its one year anniversary with a dinner and playing some bowling.

05.02.2018: We are happy to welcome Harshini Venkata Annadata from the National University of Singapore as a visiting student.

10.01.2018: Check out our recent collaborative papers, posted on arXiv, on phonons in hybrid perovskites and their relation to carrier lifetimes and ionic composition.

06.12.2017: Our group had fun at a Christmas outing & visited the excellent Kepler museum.

11.10.2017: We are very happy to welcome two new group members: Max Schilcher joins as a PhD student, and Robert Hrdina supports our office duties.

04.07.2017: We visited the lovely Regensburg surroundings for some climbing and paddling action.

08.06.2017: Our group is co-organizing a minisymposium on theoretical chemistry in Regensburg.

26.05.2017: We are proud to be part of SFB 1277, granted by the German Science Foundation.

19.05.2017: Our group celebrated its start at the Regensburg Dult, click here for a group picture!

04.05.2017: We are very happy to welcome Keshav Srinivasan from IIT Bombay as a visiting student!

27.04.2017: We are grateful to receive computing time for JURECA, Jülich supercomputing center.

03.04.2017: Christian Gehrmann has joined us as a PhD student, welcome to the group Christian!

04.03.2017: Stefan Seidl has joined the group as a PhD student, welcome Stefan!

01.02.2017: the CMS group starts in Regensburg, exciting times!