Theoretical Chemical Physics

The motto of our group is "From Cosmology to Biology". We engage in quirky science by bridging disparate concepts from various fields of research, while breaking boundaries between "established" scientific methodologies. Some examples of our unusual research include addressing the dark-energy problem of cosmology by quantum-chemical approaches [PRL 130, 041601 (2023)]; predicting the crystal forms of drugs in silico with experimental accuracy [Nature 623, 324 (2023)]; creating general models for protein dynamics beyond AlphaFold and classical force fields [Sci. Adv. 10, eadn4397 (2024), ChemRxiv. chemrxiv-bdfr0 (2024)]; or finding gravitational analogues in quantum systems through molecular interactions [JACS 146, 31198 (2024)].

Apply to our group if you have unbounded curiosity, wide-ranging scientific interests, and a knack for breaking established concepts. Our group includes and collaborates with physicists, chemists, biologists, mathematicians, and computer scientists; both in theory and experiment.

Lab Banner

[From left to right] Front row: Dhruv Sharma, Leonardo Medrano Sandonas, Carolin Müller, Kyunghoon Han, Ashmita Bose, Yolande Edjogo, Oksana Charkina, Matteo Gori;
Second row: Jorge Charry Martinez, Igor Poltavskyi, Ariadni Boziki, Mathias Hilfiker;
Third row: Matteo Barborini, Artem Kokorin, Benedikt Ames, Mario Galante, Alexandre Tkatchenko, Matthieu Sarkis, Raul Ian Sosa;
Top row: Gregory Cordeiro Fonseca, Almaz Khabibrakhmanov, Dahvyd Wing, Loris Di Cairano, Daniel Bonhenry