Rigid-body dynamics in the isothermal-isobaric ensemble: A test on the accuracy and computational efficiency

Wataru Shinoda, Masuhiro Mikami. Rigid-body dynamics in the isothermal-isobaric ensemble: A test on the accuracy and computational efficiency. Journal of Computational Chemistry, 24(8):920-930, 2003. [doi]

Authors

Wataru Shinoda

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Masuhiro Mikami

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