April 7 - 11, 2008
HIM lecture hall, Poppelsdorfer Allee 45
Organizers: Frédéric Legoll, Tony Lelièvre, Mathias Rousset, Gabriel Stoltz
Description: The purpose of this workshop was to study numerical questions raised by molecular simulations from a mathematical viewpoint. Indeed, though molecular simulations now represent a huge part of the CPU time used by scientists, only few numerical analysts, experts in scientific computing, and more generally applied mathematicians are involved in this field. We believe that these simulations are related to many unexplored and interesting topics in numerical analysis and scientific computing, and involve many probabilistic aspects that require cross disciplinary researches to be lead.
Topics:
- Quantum Monte Carlo simulations;
- Path sampling in molecular dynamics;
- Free energy computations;
- Coarse graining of molecular dynamics.
Invited lecturers:
- Wim Briels (University of Twente, The Netherlands)
- Pierre Del Moral (INRIA Bordeaux)
- Arnaud Guillin (Université de Marseille)
- Raz Kupferman (Institute of Mathematics, The Hebrew University)
Person |
Affiliation |
Period of stay |
| Roland Assaraf | Université P. & M. Curie | |
| Manuel Athenes | CEA/Saclay | |
| Volodymyr Babin | North Carolina State University | |
| Robert Baier | Universität Bayreuth | |
| Cédric Bernardin | ENS Lyon | |
| Stephan de Bievre | Université des Sciences et Technologies de Lille | |
| David Bremner | TU München | |
| Wim Briels | Computational Biophysics | |
| Carsten Carstensen | ||
| Christophe Chipot | Université Henri Poincaré Nancy 1 | |
| Ismaila Dabo | Université Paris-Est | |
| Tzanko Donchev | ||
| Paul Fleurat-Lessard | École normale supérieure de Lyon | |
| Armin Fügenschuh | TU Darmstadt | |
| Manolis Georgoulis | University of Leicester | |
| Matthias Gerdts | University of Birmingham | |
| Arnaud Guillin | Université Paris-Dauphine | |
| Carsten Hartmann | Freie University of Berlin | |
| Max Jensen | University of Durham | |
| Benjamin Jourdain | ENPC Paris | |
| Markos Katsoulakis | University of Massachusetts at Amherst | |
| Georgios Kossioris | University of Crete | |
| Raz Kupfermann | The Hebrew University | |
| Aline Kurtzmann | University of Oxford | |
| Omar Lakkis | University of Sussex | |
| Frederic Legoll | ||
| Tony Lelievre | Ecole Nationale des Ponts et Chaussees | |
| Christian Litterer | University of Oxford | |
| Thomas Lorenz | Universität Heidelberg | |
| Sylvain Maire | Université du Sud Toulon-Var | |
| Cosmin Marinica | CEA Saclay, DEN/SRMP | |
| Kimiya Minoukadeh | CERMICS - ENPC | |
| Pierre Del Moral | Université Bordeaux I | |
| Ekaterina Muravleva | Max Planck Institute for Mathematics in the Sciences | |
| Christoph Ortner | Computing Laboratory | |
| Andrei Osipov | The Hebrew University | |
| Grigorios A. Pavliotis | Imperial College London | |
| Janosch Rieger | Universität Bielefeld | |
| Marco Romito | Università di Firenze | |
| Mathias Rousset | CERMICS | |
| Raphael Roux | Ecole des Ponts Paris Tech | |
| Lars Schewe | TU Darmstadt | |
| Achill Schürmann | Universität Magdeburg | |
| Mathieu Dutour Sikiric | ||
| Gabriel Stoltz | Ecole Nationale des Ponts et Chaussées | |
| Frank Vallentin |