Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?-Reference-Cited by-同舟云学术

Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?

Published:2005-03-19 Issue:14 Volume:109 Page:6902-6915
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Oberhofer Harald¹,Dellago Christoph¹,Geissler Phillip L.²

Affiliation:

1. Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria,

2. Department of Chemistry, University of California, and Physical Biosciences and Materials Sciences Divisions, Lawrence Berkeley National Laboratory, Berkeley, California 94720

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp044556a

Reference37 articles.

1. Nonequilibrium Equality for Free Energy Differences

2. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

3. Statistical Mechanics of Fluid Mixtures

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