3 papers
math.AP2026
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.…
math.NA2026
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…
math.NA2025
Dynamical reweighting for estimation of fluctuation formulas
Raphaël Gastaldello, Gabriel Stoltz, Urbain Vaes
We propose a variance reduction method for calculating transport coefficients in molecular dynamics using an importance sampling method via Girsanov's theorem applied to Green--Kub…