Marc Baaden is a computational chemist at CNRS in Paris, focusing on interactive approaches to molecular modelling of complex biological systems. Molecular visualization is an essential part of this work combining high-performance computing and virtual reality, with particularly exciting perspectives offered by the latest graphics processors. Managing and analyzing "big molecular data" is an other key topic. Present research includes the study of biological and chemical phenomena via theoretical methods based on physical chemistry and leading to an understanding of processes at the atomic scale. At the same time I try to keep a close contact to experiment and take advantage of novel approaches such as virtual reality. A selection of current areas and projects deals with biomolecules as hydrogen oxidation catalyst in fuel cells, designing a virtual laboratory for biomolecular simulations and materials science, driving Molecular Dynamics codes by coupling with a CPU intensive visualization module and exa-scalable visual analysis for life and materials sciences. Results are published in Nature, Biophysical Journal, ChemPhysChem, J. Comput Chem. and in computer science conference proceedings. The topics range from membrane proteins, enzymes and their biological function to more methodological developments and applications in interactive molecular graphics and virtual reality.
Biography Updated on 6 November 2012