[From left to right] Front row: Matteo Barborini, Yolande Edjogo, Ariadni Boziki, Ornella Vaccarelli, Carolin Müller, Igor Poltavskyi, Mario Galante, Dahvyd Wing;
Second row: Raul Ian Sosa, Matteo Gori, Benedikt Ames, Kyunghoon Han, Oksana Charkina, Mirela Puleva, Leonardo Medrano Sandonas, Almaz Khabibrakhmanov;
Third row: Dmitry Fedorov, Matthieu Sarkis, Alexandre Tkatchenko, Szabolcs Goger, Matej Ditte, Jorge Charry Martinez;
Top row: Gregory Cordeiro Fonseca, Tobias Henkes, Josh Berryman, Valentin Vassilev Galindo, Nils Davoine, Loris Di Cairano
Welcome to the Theoretical Chemical Physics group at the University of Luxembourg, lead by Prof. Alexandre Tkatchenko. Our group develops novel methodologies and undertakes ambitious computational projects to address fundamental and challenging aspects of systems at the intersection of physics, chemistry, and biology. The key goal of our work is to bring quantum-mechanical level of insight to large and complex systems. This can only be achieved by unifying physical theories at varying spatial and temporal scales, which is achieved by combining first-principles quantum methods, coarse-grained statistical approaches, as well as developing novel mathematical and computational techniques. Our group includes physicists, chemists, mathematicians, and computer scientists, and we collaborate with many leading researchers across the world. Our publication list highlights the breadth of approaches we develop and the application of these techniques for achieving fundamental understanding of molecules and materials.