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

Martin Fitzner Laurent Joly 1 Ming Ma Gabriele C. Sosso Andrea Zen Angelos Michaelides
1 ILM - Institut Lumière Matière [Villeurbanne]
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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02289278
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Submitted on : Monday, September 16, 2019 - 2:51:08 PM
Last modification on : Tuesday, November 19, 2019 - 2:38:37 AM

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Martin Fitzner, Laurent Joly, Ming Ma, Gabriele C. Sosso, Andrea Zen, et al.. Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces. Journal of Chemical Physics, American Institute of Physics, 2017, 147, pp.121102. ⟨10.1063/1.4997698⟩. ⟨hal-02289278⟩

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