We generalize the Metropolis et al. random walk algorithm to the situation where the energy is noisy and can only be estimated. Two possible applications are for long range potentials and for mixedâ€¦ (More)

Proceedings of the National Academy of Sciencesâ€¦

2010

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivityâ€¦ (More)

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their descriptionâ€¦ (More)

Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange-correlation density functionals (DFs) near molecular dissociation in liquidâ€¦ (More)

We investigate the superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model through quantum Monte Carlo simulations. The Bose-Hubbard model is studied in the presence ofâ€¦ (More)

Physical review. E, Statistical, nonlinear, andâ€¦

2001

We develop and test Quantum Monte Carlo algorithms that use a"twist" or a phase in the wave function for fermions in periodic boundary conditions. For metallic systems, averaging over the twistâ€¦ (More)

We present an efficient new Monte Carlo method which couples path integrals for finite temperature protons with quantum Monte Carlo calculations for ground state electrons, and we apply it toâ€¦ (More)

Physical review. E, Statistical, nonlinear, andâ€¦

2003

We justify and evaluate backflow three-body wave functions for a two-component system of electrons and protons. Based on the generalized Feynman-Kacs formula, many-body perturbation theory, and bandâ€¦ (More)