Numerical aspects of nonequilibrium dynamics

25 avr. 2017, 08:00 → 28 avr. 2017, 18:00 Europe/Paris

IHP

Many successful approaches for the efficient simulation of equilibrium systems cannot be adapted as such to nonequilibrium dynamics. This is the case for instance for standard variance reduction techniques such as importance sampling or stratification.

This 3 day workshop is therefore focused on developments of original numerical methods specifically dedicated to the simulation of nonequilibrium systems, as well as their certification in terms of error estimates - for instance, quantification of statistical uncertainties and bias as a function of a timestep or number of realizations.

This workshop is funded by the ERC grant MsMath, and also benefits from the scientifc environment of the ANR project COSMOS.

Slides

• arnold.pdf
• boeringer.pdf
• dhar.pdf
• grafke.pdf
• han.pdf
• hartmann.pdf
• krauth.pdf
• lecomte.pdf
• lelievre.pdf
• lepri.pdf
• masella.pdf
• monmarche.pdf
• morriss.pdf
• todd.pdf
• touchette.pdf
• vilmart.pdf

summary posterAbstractBaudel.pdf

mardi 25 avril

09:00 → 09:25 Registration

09:25 → 09:30 Introductory remarks

09:30 → 10:15 Jonathan Weare: Trajectory stratification for rare event simulation

10:15 → 10:45 Coffee break

10:45 → 11:30 Vivien Lecomte: Population dynamics method: systematic errors and feedback control

11:30 → 11:45 Discussion break

11:45 → 12:30 Tobias Grafke: Non-equilibrium self-organization of motile bacteria with fluctuating population and speed

12:30 → 14:00 Lunch break

14:00 → 14:45 Anton Arnold: Entropy method for hypocoercive & non-symmetric Fokker-Planck equations with linear drift

14:45 → 15:00 Discussion break

15:00 → 15:45 Michela Ottobre: Sampling with non-reversible dynamics

15:45 → 16:15 Coffee break

16:15 → 17:00 Corinna Kollath: Using matrix product states to investigate dissipative systems

18:00 → 20:00 Cocktail and poster session

mercredi 26 avril

09:30 → 10:15 Carsten Hartmann: Importance sampling of rare events using cross-entropy minimization

10:15 → 10:45 Coffee break

10:45 → 11:30 Tony Lelièvre: Efficient simulation of metastable trajectories

11:30 → 11:45 Discussion break

11:45 → 12:30 Luc Rey-Bellet: Uncertainty quantification for non-equilibrium extended stochastic systems

12:30 → 14:00 Lunch break

14:00 → 14:45 Stefano Lepri: Anomalous dynamical scaling in 1D systems with multiparticle collisions

14:45 → 15:00 Discussion break

15:00 → 15:45 Gary Morriss: Heat conduction in atomic systems

15:45 → 16:15 Coffee break

16:15 → 17:00 Abhishek Dhar: Coupled rotors and classical spin chains: predictions from fluctuating hydrodynamics and numerical tests

18:00 → 19:00 Public lecture by Gilles Vilmart: Simulations numériques en temps long : des atomes aux étoiles

jeudi 27 avril

09:30 → 10:15 Haoxue Han: Probing interfacial heat and mass transfer at the molecular scale

10:15 → 10:45 Coffee break

10:45 → 11:30 Billy Todd: Temperature control and measurement of flow enhancement for confined nonequilibrium fluids

11:30 → 11:45 Discussion break

11:45 → 12:30 Greg Pavliotis: Spectral methods for Langevin dynamics with a multiscale structure

12:30 → 14:00 Lunch break

14:00 → 14:45 Hugo Touchette: Large deviation simulations: Equilibrium vs nonequilibrium systems

14:45 → 15:00 Discussion break

15:00 → 15:45 Pierre Monmarché: Piecewise deterministic sampling and annealing

15:45 → 16:15 Coffee break

16:15 → 17:00 Werner Krauth: Lifting and non-reversible Markov chains for particle systems and spin models

vendredi 28 avril

09:30 → 16:30 Maths/industry day on molecular simulation