Momentum removal to obtain the position-dependent diffusion constant in constrained molecular dynamics simulation

Kazushi Fujimoto, Tetsuro Nagai, Tsuyoshi Yamaguchi. Momentum removal to obtain the position-dependent diffusion constant in constrained molecular dynamics simulation. Journal of Computational Chemistry, 42(30):2136-2144, 2021. [doi]

Authors

Kazushi Fujimoto

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Tetsuro Nagai

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Tsuyoshi Yamaguchi

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