Common Molecular Dynamics Algorithms Revisited: Accuracy and Optimal Time Steps of Störmer–Leapfrog Integrators

This publication has 17 references indexed in Scilit:

• Comment on: Reversible multiple time scale molecular dynamics
  The Journal of Chemical Physics, 1993
• Molecular dynamics at constant temperature and pressure
  Physical Review E, 1993
• Reversible multiple time scale molecular dynamics
  The Journal of Chemical Physics, 1992
• Long-time behaviour of numerically computed orbits: Small and intermediate timestep analysis of one-dimensional systems
  Journal of Computational Physics, 1991
• Large Timesteps in Molecular Dynamics Simulations
  Molecular Simulation, 1988
• Periodic multistep methods in molecular dynamics
  Computer Physics Communications, 1984
• A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
  The Journal of Chemical Physics, 1982
• Algorithms for macromolecular dynamics and constraint dynamics
  Molecular Physics, 1977
• Some multistep methods for use in molecular dynamics calculations
  Journal of Computational Physics, 1976
• Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
  Physical Review B, 1967