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physics.comp-ph2024★ 3 cited
Velocity Jumps for Molecular Dynamics
Nicolaï Gouraud, Louis Lagardère, Olivier Adjoua +3
We introduce the Velocity Jumps approach, denoted as JUMP, a new class of Molecular dynamics integrators, replacing the Langevin dynamics by a hybrid model combining a classical La…
math.NA2024★ 1 cited
The velocity jump Langevin process and its splitting scheme: long time convergence and numerical accuracy
Nicolaï Gouraud, Lucas Journel, Pierre Monmarché
The Langevin dynamics is a diffusion process extensively used, in particular in molecular dynamics simulations, to sample Gibbs measures. Some alternatives based on (piecewise dete…