Numerical calculations using the hyper-molecular dynamics simulation method

Computer Simulation of Liquids

2017 • 20,627 citations

Computer Simulation of Liquids

1988 • 15,963 citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

1985 • 10,277 citations

Reaction-rate theory: fifty years after Kramers

1990 • 5,771 citations

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

1990 • 3,942 citations

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

1999 • 2,867 citations

Frequency factors and isotope effects in solid state rate processes

1957 • 2,103 citations

Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events

1997 • 940 citations

SimpleN-body potentials for the noble metals and nickel

1987 • 590 citations

A method for accelerating the molecular dynamics simulation of infrequent events

1997 • 583 citations

Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100)

1986 • 478 citations

Defect migration in crystalline silicon

1999 • 400 citations

Methods for Finding Saddle Points and Minimum Energy Paths

2005 • 278 citations

Simple bias potential for boosting molecular dynamics with the hyperdynamics scheme

1998 • 93 citations

A chain of states method for investigating infrequent event processes occurring in multistate, multidimensional systems

1993 • 81 citations

Ergodicity and dynamical properties of constant-temperature molecular dynamics

1992 • 47 citations

Hyper molecular dynamics with a local bias potential

1999 • 30 citations

Accelerating the Dynamics of Infrequent Events: Combining Hyperdynamics and Parallel Replica Dynamics to Treat Epitaxial Layer Growth

1998 • 21 citations

Numerical implementation of the hyper-molecular dynamics method with examples applied to diffusion

2001 • 4 citations