112 citations · 127 across the 2 of their papers we have counts for
3 papers
cond-mat.stat-mech2002★ 112 cited
Sampling along reaction coordinates with the Wang-Landau method
F. Calvo
The multiple range random walk algorithm recently proposed by Wang and Landau [Phys. Rev. Lett. 86, 2050 (2001)] is adapted to the computation of free energy profiles for molecular…
cond-mat.mtrl-sci2002★ 15 cited
Exchange Monte Carlo for Molecular Simulations with Monoelectronic Hamiltonians
F. Calvo, F. Spiegelman
We introduce a general Monte Carlo scheme for achieving atomistic simulations with monoelectronic Hamiltonians including the thermalization of both nuclear and electronic degrees o…
physics.chem-ph2000
Phase changes in 38 atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical
F. Calvo, J. P. Neirotti, David L. Freeman +1
We study the 38-atom Lennard-Jones cluster with parallel tempering Monte Carlo methods in the microcanonical and molecular dynamics ensembles. A new Monte Carlo algorithm is presen…