A global reaction route mapping-based kinetic Monte Carlo algorithm-Reference-Cited by-同舟云学术

A global reaction route mapping-based kinetic Monte Carlo algorithm

Published:2016-07-14 Issue:2 Volume:145 Page:024105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Mitchell Izaac¹,Irle Stephan²,Page Alister J.¹

Affiliation:

1. Newcastle Institute for Energy and Resources, The University of Newcastle, Callaghan 2308, Australia

2. Institute of Transformative Bio-Molecules (WPI-ITbM) and Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan

Funder

Japan Society for the Promotion of Science (JSPS)

Australian Research Council (ARC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4954660

Reference59 articles.

1. Studies in Molecular Dynamics. I. General Method

2. Correlations in the Motion of Atoms in Liquid Argon

3. Monte Carlo Methods in Statistical Physics, edited by K. Binder (Springer, Berlin, Heidelberg, 1986), Vol. 7, pp. 1–45.

4. Equation of State Calculations by Fast Computing Machines

5. Combining molecular dynamics with Monte Carlo simulations: implementations and applications

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