Nature Electronics · 2023 · 394 citations · 62 references
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
George A. Kaminski, Richard A. Friesner, Julian Tirado‐Rives et al. · The Journal of Physical Chemistry B · 2001 · 4.1K citations