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Estimating Free Energy Surfaces and their Convergence from multiple, independent static and history-dependent biased molecular-dynamics simulations with Mean ForceIntegration. (2024)

First Author: Bjola A

Attributed to: Crystallisation in the Real World: Delivering Control through Theory and Experiment funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv-2024-83h5q-v2

Publication URI: http://dx.doi.org/10.26434/chemrxiv-2024-83h5q-v2

Type: Preprint