6 papers
On the diffusive-mean field limit of a kinetic weakly interacting particle system
Raphaël Gastaldello, Grigorios A. Pavliotis, Gabriel Stoltz +1
We study the joint diffusive-mean field limit for a system of weakly interacting kinetic Langevin dynamics, extending the results of Delgadino, Gvalani and Pavliotis (Arch. Ration.…
Mathematical analysis and numerical methods for the computation of transport coefficients in molecular dynamics
Noe Blassel, Louis Carillo, Shiva Darshan +7
We review various numerical approaches to compute transport coefficients in molecular dynamics. These approaches can be broadly classified into three groups: (i) nonequilibrium met…
Periodically forced pinned anharmonic atom chains
Shiva Darshan, Alessandra Iacobucci, Stefano Olla +1
Recent works proved a hydrodynamic limit for periodically forced atom chains with harmonic interaction and pinning, together with momentum flip. When energy is the only conserved q…
Neural network approaches for variance reduction in fluctuation formulas
Grigorios Pavliotis, Renato Spacek, Gabriel Stoltz +1
We propose a method utilizing physics-informed neural networks (PINNs) to solve Poisson equations that serve as control variates in the computation of transport coefficients via fl…
Transient subtraction: A control variate method for computing transport coefficients
Pierre Monmarché, Renato Spacek, Gabriel Stoltz
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. The…
Sticky coupling as a control variate for sensitivity analysis
Shiva Darshan, Andreas Eberle, Gabriel Stoltz
We present and analyze a control variate strategy based on couplings to reduce the variance of finite difference estimators of sensitivity coefficients, called transport coefficien…