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Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations. This exact result, as well as the related Crooks fluctuation theorem, provide the basis for the computation of...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI AG
2013-12-01
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| Colecção: | Entropy |
| Assuntos: | |
| Acesso em linha: | http://www.mdpi.com/1099-4300/16/1/41 |
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