Free Energy Calculations: An Efficient Adaptive Biasing Potential Method-Reference-Cited by-同舟云学术

Free Energy Calculations: An Efficient Adaptive Biasing Potential Method

Published:2010-04-09 Issue:17 Volume:114 Page:5823-5830
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Dickson Bradley M.¹,Legoll Frédéric¹,Lelièvre Tony¹,Stoltz Gabriel¹,Fleurat-Lessard Paul¹

Affiliation:

1. Université Paris Est, CERMICS, Project MICMAC Ecole des Ponts ParisTech - INRIA, 6 & 8 Avenue Blaise Pascal, 77455 Marne-la-Vallée Cedex 2, France, Université de Lyon, Laboratoire de Chimie UMR 5182, École Normale Supérieure de Lyon, 46 allée d’Italie, 69364 Lyon Cedex 7, France, and Université Paris Est, Institut Navier, LAMI, Project MICMAC Ecole des Ponts ParisTech - INRIA, 6 & 8 Avenue Blaise Pascal, 77455 Marne-la-Vallée Cedex 2, France

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/jp100926h

Reference28 articles.

1. Reaction-rate theory: fifty years after Kramers

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3. Multicanonical ensemble: A new approach to simulate first-order phase transitions

4. Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

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