Nanoscale study of boiling and evaporation in a liquid Ar film on a Pt heater using molecular dynamics simulation

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 43.6K citations

Engineering, Fast Parallel Algorithms, Parallel Programming +6

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 22.7K citations

Engineering, Molecular Thermodynamics, Physics +13

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.3K citations · Full text

Engineering, Canonical Distribution, Rigorous Canonical Distribution +18

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.2K citations · Full text

Engineering, Lennard-jones Potential, Fluid Mechanics +21

Constant Temperature Molecular Dynamics Methods

Shūichi Nosé · Progress of Theoretical Physics Supplement · 1991 · 1.5K citations · Full text

Thermodynamic Modelling, Engineering, Physics +14