Michael L. Klein

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

Natural Sciences, Chemistry, Physics +17

Constant pressure molecular dynamics algorithms

Glenn Martyna, Douglas J. Tobias, Michael L. Klein · The Journal of Chemical Physics · 1994 · 5.9K citations

Natural Sciences, Chemistry, Physics +13

Nosé–Hoover chains: The canonical ensemble via continuous dynamics

Glenn Martyna, Michael L. Klein, Mark E. Tuckerman · The Journal of Chemical Physics · 1992 · 5.8K citations

Natural Sciences, Physics, Dynamical Systems +16

Constant pressure molecular dynamics for molecular systems

Shūichi Nosé, Michael L. Klein · Molecular Physics · 1983 · 3.3K citations

Natural Sciences, Chemistry, Physics +15

Explicit reversible integrators for extended systems dynamics

Glenn Martyna, Mark E. Tuckerman, Douglas J. Tobias et al. · Molecular Physics · 1996 · 1.8K citations

Natural Sciences, Physics, Computational Physics +14