Numerical aspects of nonequilibrium dynamics

Europe/Paris
IHP

IHP

Description

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.

    • 9:00 AM 9:25 AM
      Registration Ground floor

      Ground floor

      IHP

    • 9:25 AM 9:30 AM
      Introductory remarks 5m
    • 9:30 AM 10:15 AM
      Jonathan Weare: Trajectory stratification for rare event simulation
    • 10:15 AM 10:45 AM
      Coffee break 30m
    • 10:45 AM 11:30 AM
      Vivien Lecomte: Population dynamics method: systematic errors and feedback control
    • 11:30 AM 11:45 AM
      Discussion break 15m
    • 11:45 AM 12:30 PM
      Tobias Grafke: Non-equilibrium self-organization of motile bacteria with fluctuating population and speed
    • 12:30 PM 2:00 PM
      Lunch break 1h 30m
    • 2:00 PM 2:45 PM
      Anton Arnold: Entropy method for hypocoercive & non-symmetric Fokker-Planck equations with linear drift
    • 2:45 PM 3:00 PM
      Discussion break 15m
    • 3:00 PM 3:45 PM
      Michela Ottobre: Sampling with non-reversible dynamics
    • 3:45 PM 4:15 PM
      Coffee break 30m
    • 4:15 PM 5:00 PM
      Corinna Kollath: Using matrix product states to investigate dissipative systems
    • 6:00 PM 8:00 PM
      Cocktail and poster session 2h
    • 9:30 AM 10:15 AM
      Carsten Hartmann: Importance sampling of rare events using cross-entropy minimization
    • 10:15 AM 10:45 AM
      Coffee break 30m
    • 10:45 AM 11:30 AM
      Tony Lelièvre: Efficient simulation of metastable trajectories
    • 11:30 AM 11:45 AM
      Discussion break 15m
    • 11:45 AM 12:30 PM
      Luc Rey-Bellet: Uncertainty quantification for non-equilibrium extended stochastic systems
    • 12:30 PM 2:00 PM
      Lunch break 1h 30m
    • 2:00 PM 2:45 PM
      Stefano Lepri: Anomalous dynamical scaling in 1D systems with multiparticle collisions
    • 2:45 PM 3:00 PM
      Discussion break 15m
    • 3:00 PM 3:45 PM
      Gary Morriss: Heat conduction in atomic systems
    • 3:45 PM 4:15 PM
      Coffee break 30m
    • 4:15 PM 5:00 PM
      Abhishek Dhar: Coupled rotors and classical spin chains: predictions from fluctuating hydrodynamics and numerical tests
    • 6:00 PM 7:00 PM
      Public lecture by Gilles Vilmart: Simulations numériques en temps long : des atomes aux étoiles
    • 9:30 AM 10:15 AM
      Haoxue Han: Probing interfacial heat and mass transfer at the molecular scale
    • 10:15 AM 10:45 AM
      Coffee break 30m
    • 10:45 AM 11:30 AM
      Billy Todd: Temperature control and measurement of flow enhancement for confined nonequilibrium fluids
    • 11:30 AM 11:45 AM
      Discussion break 15m
    • 11:45 AM 12:30 PM
      Greg Pavliotis: Spectral methods for Langevin dynamics with a multiscale structure
    • 12:30 PM 2:00 PM
      Lunch break 1h 30m
    • 2:00 PM 2:45 PM
      Hugo Touchette: Large deviation simulations: Equilibrium vs nonequilibrium systems
    • 2:45 PM 3:00 PM
      Discussion break 15m
    • 3:00 PM 3:45 PM
      Pierre Monmarché: Piecewise deterministic sampling and annealing
    • 3:45 PM 4:15 PM
      Coffee break 30m
    • 4:15 PM 5:00 PM
      Werner Krauth: Lifting and non-reversible Markov chains for particle systems and spin models
    • 9:30 AM 4:30 PM
      Maths/industry day on molecular simulation Hermite

      Hermite

      IHP