Non-Iterative Constraint Dynamics Using Velocity-Explicit Verlet Methods

Computer Simulation of Liquids

2017 • 20,627 citations

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

1977 • 19,896 citations

Computer Simulation of Liquids

1988 • 15,963 citations

The missing term in effective pair potentials

1987 • 12,201 citations

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

1982 • 3,693 citations

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

1983 • 2,842 citations

Hoover NPT dynamics for systems varying in shape and size

1993 • 1,058 citations

Some multistep methods for use in molecular dynamics calculations

1976 • 889 citations

Molecular dynamics of liquid alkanes

1978 • 706 citations

The properties of liquid nitrogen

1975 • 315 citations

Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithm

1986 • 270 citations

Algorithms for constrained molecular dynamics

1995 • 184 citations

Computer simulation study of the comparative rheology of branched and linear alkanes

1992 • 99 citations

Direct Application of Shake to the Velocity Verlet Algorithm

1993 • 85 citations

New algorithm for constrained molecular-dynamics simulation of liquid benzene and naphthalene

1990 • 75 citations

A Non-Iterative Matrix Method for Constraint Molecular Dynamics Simulations

1994 • 62 citations

Hamilton's equations for constrained dynamical systems

1990 • 55 citations

Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraints

1991 • 51 citations

Physical properties of liquid water by molecular dynamics simulations

1994 • 28 citations