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20052023
most citedMachine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

230 citations · 1.3k across the 68 of their papers we have counts for

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math.AP2007

Long-time convergence of an Adaptive Biasing Force method

Tony Lelievre, Felix Otto, Mathias Rousset +1

We propose a proof of convergence of an adaptive method used in molecular dynamics to compute free energy profiles. Mathematically, it amounts to studying the long-time behavior of…