AN INTERACTING PARTICLE APPROACH SYSTEM APPROACH FOR MOLECULAR DYNAMICS
Résumé
We present here some applications of an Interacting Particle System (IPS) methodology to the field of Molecular Dynamics. This IPS method allows several simulations of a same out of equilibrium process to keep closer to equilibrium at each time, thanks to a selection mechanism based on the relative virtual work induced on the system. It is therefore an improvement of usual simulated annealing type processes used to compute canonical distributions of the system and free energy differences.