Research activities on modeling materials at the nanoscale. Simulations based on the first principles (without using empirical data) are now powerful enough to predict many properties of materials (electronics, dielectrics, transport, vibrations, ...) before they can even be synthesized in the laboratory. Therefore, these methods are an inexpensive tool to guide experimental research.
The ab initio team of the Institute of Condensed Matter and Nanosciences (IMCN) is composed of Profs. J.-C. Charlier, X. Gonze, G. Hautier, and G.-M. Rignanese, as well as 25 researchers.
Université Catholique de Louvain
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