Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

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

Loup Verlet · Physical Review · 1967 · 9.3K citations · Full text

Natural Sciences, Chemistry, Physics +14

Improved simulation of liquid water by molecular dynamics

Frank H. Stillinger, Aneesur Rahman · The Journal of Chemical Physics · 1974 · 1.7K citations

Natural Sciences, Chemistry, Physics +17

Molecular Dynamics Study of Liquid Water

Aneesur Rahman, Frank H. Stillinger · The Journal of Chemical Physics · 1971 · 1.4K citations

Natural Sciences, Chemistry, Physics +17

Molecular dynamics of liquid n-butane near its boiling point

Jean-Paul Ryckaert, A. Bellemans · Chemical Physics Letters · 1975 · 636 citations

Natural Sciences, Chemistry, Physics +14

Simulation of Diatomic Homonuclear Liquids

Jorge Barojas, D. Levesque, B. Quentrec · Physical review. A, General physics · 1973 · 307 citations

Natural Sciences, Chemistry, Physics +14