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

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physics.comp-ph2017★ 16 cited

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

Martin Fitzner, Laurent Joly, Ming Ma +3

Non-bonded potentials are included in most force fields and therefore widely used in classical molecular dynamics simulations of materials and interfacial phenomena. It is commonpl…