Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces-Reference-Cited by-同舟云学术

Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces

Published:2017-09-28 Issue:12 Volume:147 Page:121102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Fitzner Martin¹^ORCID,Joly Laurent²^ORCID,Ma Ming³^ORCID,Sosso Gabriele C.⁴^ORCID,Zen Andrea¹^ORCID,Michaelides Angelos¹^ORCID

Affiliation:

1. Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom

2. Univ. Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France

3. Department of Mechanical Engineering, State Key Laboratory of Tribology and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China

4. Department of Chemistry and Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom

Funder

Royal Society

Direction Générale de l'Armement (DGA)

Agence Nationale de la Recherche (ANR)

Engineering and Physical Sciences Research Council (EPSRC)

H2020 European Research Council (ERC)

FP7 Ideas: European Research Council (FP7 Ideas)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy