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 accuracy 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.

The work of Prof. Alexandre Tkatchenko is supported in part by the European Research Council under the European Union's Horizon 2020 research and innovation programme (grant agreement n. 725291)  and by FNR.