activity
20232026
most citedComputing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics

1 citations · 1 across the 4 of their papers we have counts for

collaborators
Showing 2023Show all

2 papers · 1 filter

physics.chem-ph2023

Analyzing multimodal probability measures with autoencoders

Tony Lelièvre, Thomas Pigeon, Gabriel Stoltz +1

Finding collective variables to describe some important coarse-grained information on physical systems, in particular metastable states, remains a key issue in molecular dynamics.…

physics.chem-ph2023★ 1 cited

Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics

Thomas Pigeon, Gabriel Stoltz, Manuel Corral-Valero +4

Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry.…