Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach.

Lindberg GE, Berkelbach TC, Wang F. Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach. J Chem Phys. 2009 May 07; 130(17):174705.

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subject areas

Gases
Models, Chemical
Reproducibility of Results
Thermodynamics
Time Factors

authors with profiles

Gerrick Lindberg

RCMI CC is supported by the National Institute on Minority Health and Health Disparities, National Institutes of Health (NIH), through Grant Number U24MD015970. The contents of this site are solely the responsibility of the authors and do not necessarily represent the official views of the NIH

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