2 papers
math.AP2021
The Adaptive Biasing Force algorithm with non-conservative forces and related topics
Tony Lelièvre, Lise Maurin, Pierre Monmarché
We propose a study of the Adaptive Biasing Force method's robustness under generic (possibly non-conservative) forces. We first ensure the flat histogram property is satisfied in a…
math.PR2019
Analysis of an Adaptive Biasing Force method based on self-interacting dynamics
Michel Benaïm, Charles-Edouard Bréhier, Pierre Monmarché
This article fills a gap in the mathematical analysis of Adaptive Biasing algorithms, which are extensively used in molecular dynamics computations. Given a reaction coordinate, id…