[From left to right] Front row: Florian Mazur, (Visiting) Prof. Wei Liu, Ornella Vaccarelli, Yolande Edjogo, Somayeh Khazei, Igor Poltavskyi, Justin Sidney Diamond.
Second row: Reza Karimpour, Matteo Barborini, Dmitry Fedorov, Leonardo Medrano Sandonas, Erik Pillon, Martin Stoehr, Peter Szabo, Jorge Alfonso Charry Martinez;
Top row: Szabolcs Goger, Josh Berryman, Prof. Alexandre Tkatchenko, Valentin Vassilev Galindo, Matej Ditte.
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.