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Accelerated dynamics and transition state theory.

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mercredi 01 févr. 2017

I will present multiscale in time algorithms which are used in molecular simulation in order to bridge the gap between the atomistic timescale and the macroscopic timescale. More precisely, I will describe the parallel replica algorithm and its mathematical analysis using the notion of quasi stationary distribution. I will also explain how this notion can be used to justify the construction of jump processes starting from the overdamped Langevin dynamics, using transition state theory and Eyring-Kramers formulas for the rates.

Workshop on Multiscale methods for stochastic dynamics

The goal of this two day workshop organized by the University of Geneva, Section of Mathematics, is to bring together experts on the active topic of multiscale methods for stochastic dynamics to present their research work and to provoke discussions and exchanges of ideas. The participation of PhD students, post-docs and advanced students is encouraged and the talks will be mostly accessible also to non-specialists. Organizers: Martin J. Gander (University of Geneva), Georg Gottwald (University of Sydney), Gilles Vilmart (University of Geneva).