Molecular simulation of an amorphous poly(methyl methacrylate)–poly(tetrafluoroethylene) interface

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

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William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

Natural Sciences, Chemistry, Physics +15

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

Natural Sciences, Physics, Fluid Dynamics +7