4 papers
A mathematical justification of the finite time approximation of Becker-Döring equations by a Fokker-Planck dynamics
Gabriel Stoltz, Pierre Terrier
The Becker-Döring equations are an infinite dimensional system of ordinary differntial equations describing coagulation/fragmentation processes of species of integer sizes. Formal…
Cluster dynamics modelling of materials: a new hybrid deterministic/stochastic coupling approach
Pierre Terrier, Manuel Athènes, Thomas Jourdan +2
Deterministic simulations of the rate equations governing cluster dynamics in materials are limited by the number of equations to integrate. Stochastic simulations are limited by t…
Estimating thermodynamic expectations and free energies in expanded ensemble simulations: systematic variance reduction through conditioning
Manuel Athènes, Pierre Terrier
Markov chain Monte Carlo methods are primarily used for sampling from a given probability distribution and estimating multi-dimensional integrals based on the information contained…
Using Bayes formula to estimate rates of rare events in transition path sampling simulations
Pierre Terrier, Mihai-Cosmin Marinica, Manuel Athènes
Transition path sampling is a method for estimating the rates of rare events in molecular systems based on the gradual transformation of a path distribution containing a small frac…