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Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.
Fitzner, Martin; Joly, Laurent; Ma, Ming; Sosso, Gabriele C; Zen, Andrea; Michaelides, Angelos.
Affiliation
  • Fitzner M; Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
  • Joly L; Univ. Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France.
  • Ma M; Department of Mechanical Engineering, State Key Laboratory of Tribology and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China.
  • Sosso GC; Department of Chemistry and Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom.
  • Zen A; Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
  • Michaelides A; Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
J Chem Phys ; 147(12): 121102, 2017 Sep 28.
Article in En | MEDLINE | ID: mdl-28964019
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Qualitative_research Language: En Journal: J Chem Phys Year: 2017 Document type: Article Affiliation country:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Qualitative_research Language: En Journal: J Chem Phys Year: 2017 Document type: Article Affiliation country: