Puddle-skimming: An efficient sampling of multidimensional configuration space

Computer Simulation of Liquids

2017 • 20,627 citations

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

1977 • 5,626 citations

Molecular dynamics simulations at constant pressure and/or temperature

1980 • 5,396 citations

Multicanonical algorithms for first order phase transitions

1991 • 1,151 citations

Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events

1997 • 940 citations

Predicting slow structural transitions in macromolecular systems: Conformational flooding

1995 • 658 citations

A method for accelerating the molecular dynamics simulation of infrequent events

1997 • 583 citations

Reducing quasi-ergodic behavior in Monte Carlo simulations by J-walking: Applications to atomic clusters

1990 • 301 citations

Novel methods of sampling phase space in the simulation of biological systems

1997 • 219 citations

A rapidly convergent simulation method: Mixed Monte Carlo/stochastic dynamics

1994 • 168 citations

Simple bias potential for boosting molecular dynamics with the hyperdynamics scheme

1998 • 93 citations

Accelerated molecular dynamics of infrequent events

1999 • 64 citations

Hyper molecular dynamics with a local bias potential

1999 • 30 citations