Extension to the weighted histogram analysis method: combining umbrella sampling with free energy calculations

DOI10.1016/S0010-4655(00)00215-0zbMath1047.81578WikidataQ115188683 ScholiaQ115188683MaRDI QIDQ5936514

Benoît Roux, Marc Souaille

Publication date: 2001

Published in: Computer Physics Communications (Search for Journal in Brave)

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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Cites Work

• Statistical Mechanics of Fluid Mixtures