A new parallel method for molecular dynamics simulation of macromolecular systems

Fast Parallel Algorithms for Short-Range Molecular Dynamics

1995 • 39,531 citations

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

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

A fast algorithm for particle simulations

1987 • 4,825 citations

A hierarchical O(N log N) force-calculation algorithm

1986 • 3,425 citations

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

1983 • 2,842 citations

Solving Problems on Concurrent Processors

1988 • 1,177 citations

Computer simulation

1988 • 628 citations

Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactions

1992 • 419 citations

Molecular dynamics on hypercube parallel computers

1991 • 135 citations

Parallel Computers and Molecular Simulation

1987 • 120 citations

The Torus-Wrap Mapping for Dense Matrix Calculations on Massively Parallel Computers

1994 • 109 citations

Distributed memory matrix-vector multiplication and conjugate gradient algorithms

1993 • 64 citations

A domain decomposition parallel processing algorithm for molecular dynamics simulations of polymers

1994 • 63 citations

Parallel Many-Body Simulations Without All-to-All Communication

1995 • 51 citations

Molecular Dynamics Simulation on a Parallel Computer

1990 • 48 citations

Parallel Computing in Computational Chemistry

1995 • 46 citations

Parallelizing molecular dynamics using spatial decomposition

2002 • 44 citations

Parallel macromolecular simulations and the replicated data strategy

1994 • 42 citations

Simulation of organic liquids using pseudo-pairwise interatomic forces on a toroidal transputer array

1991 • 36 citations

Molecular dynamics on a distributed‐memory multiprocessor

1992 • 34 citations

Efficient Parallel Implementation of Molecular Dynamics on a Toroidal Network. Part II. Multi-particle Potentials

1993 • 30 citations

AMBERCUBE MD, parallelization of Amber's molecular dynamics module for distributed‐memory hypercube computers

1993 • 28 citations

Parallel molecular dynamics of biomolecules

1992 • 25 citations

Building a high-performance collective communication library

2002 • 20 citations

Advanced Algorithms for Molecular Dynamics Simulation

1995 • 17 citations

Modelling a nematic liquid crystal

1995 • 17 citations

Protein calculations on parallel processors. II. Parallel algorithm for the forces and molecular dynamics

1992 • 14 citations

Parallelization of AMBER molecular dynamics program for the AP1000 highly parallel computer

2003 • 11 citations

Dynamic load balancing algorithms for replicated data molecular dynamics

1995 • 8 citations