23 citations · 23 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 23 cited
Lambda-ABF: Simplified, Portable, Accurate and Cost-effective Alchemical Free Energy Computations
Louis Lagardère, Lise Maurin, Olivier Adjoua +4
We introduce an efficient and robust method to compute alchemical free energy differences, resulting from the application of multiple walker Adaptive Biasing Force (ABF) in conjunc…
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…