Phase changes in 38-atom Lennard-Jones clusters. II. A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

Replica-exchange molecular dynamics method for protein folding

1999 • 4,335 citations

Simulated Tempering: A New Monte Carlo Scheme

1992 • 1,767 citations

Configurational bias Monte Carlo: a new sampling scheme for flexible chains

1992 • 1,090 citations

Annealing Markov Chain Monte Carlo with Applications to Ancestral Inference

1995 • 840 citations

Statistical thermodynamics of the cluster solid-liquid transition

1990 • 479 citations

Monte carlo study of the interacting self-avoiding walk model in three dimensions

1996 • 353 citations

Hyper-parallel tempering Monte Carlo: Application to the Lennard-Jones fluid and the restricted primitive model

1999 • 341 citations

The double-funnel energy landscape of the 38-atom Lennard-Jones cluster

1999 • 301 citations

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

1990 • 301 citations

Thermodynamics of Global Optimization

1998 • 217 citations

On a novel Monte Carlo scheme for simulating water and aqueous solutions

1978 • 207 citations

Coexistence in small inert gas clusters

1993 • 203 citations

Laplace-transform technique for deriving thermodynamic equations from the classical microcanonical ensemble

1985 • 194 citations

Separation of the Energy of Overall Rotation in Any<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>-Body System

1989 • 123 citations

On Monte Carlo and molecular dynamics methods inspired by Tsallis statistics: Methodology, optimization, and application to atomic clusters

1997 • 116 citations

Chaos in small clusters of inert gas atoms

1992 • 104 citations

Chaotic dynamics in small inert gas clusters: The influence of potential energy saddles

1993 • 97 citations

Structural relaxation in atomic clusters: Master equation dynamics

1999 • 89 citations

Extending J walking to quantum systems: Applications to atomic clusters

1992 • 76 citations

Configurational density of states from molecular dynamics simulations

1995 • 61 citations

Rotating clusters: centrifugal distortion, isomerization, fragmentation

1989 • 52 citations

Angular-momentum resolution in transitional-mode state counting for loose transition states

1992 • 49 citations

Dynamics on statistical samples of potential energy surfaces

1999 • 48 citations

Isomerization dynamics and ergodicity in Ar7

1997 • 41 citations

Multicanonical jump walking: A method for efficiently sampling rough energy landscapes

1999 • 40 citations

Monte-Carlo simulations of rotating clusters

1998 • 39 citations

Chaos and dynamical coexistence in Lennard-Jones clusters

1998 • 30 citations

Curvature fluctuations and the Lyapunov exponent at melting

1997 • 30 citations

A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters

1998 • 22 citations

E J ensemble momentum sampling

1991 • 19 citations

Structure, rearrangements and evaporation of rotating atomic clusters

1996 • 12 citations

Total and fractional densities of states from caloric relations

1998 • 12 citations