Opposite phenomenon to the flying ice cube in molecular dynamics simulations of flexible TIP3P water

Comparison of simple potential functions for simulating liquid water

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A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

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A molecular dynamics method for simulations in the canonical ensemble

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Computer simulation of liquids

Charles L. Brooks · Journal of Solution Chemistry · 1989 · 1.5K citations

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