825 citations · 2.9k across the 47 of their papers we have counts for
4 papers · 1 filter
Accelerated nuclear quantum effects sampling with open path integrals
Guglielmo Mazzola, Matthias Troyer
We numericaly demonstrate that, in double well models, the autocorrelation time of open path integral Monte Carlo simulations can be much smaller compared to standard ones using ri…
Accelerated ab-initio Molecular Dynamics: probing the weak dispersive forces in dense liquid hydrogen
Sandro Sorella, Guglielmo Mazzola
We propose an ab-initio molecular dynamics method, capable to reduce dramatically the autocorrelation time required for the simulation of classical and quantum particles at finite…
Scaling analysis and instantons for thermally-assisted tunneling and Quantum Monte Carlo simulations
Zhang Jiang, Vadim N. Smelyanskiy, Sergei V. Isakov +4
We develop an instantonic calculus to derive an analytical expression for the thermally-assisted tunneling decay rate of a metastable state in a fully connected quantum spin model.…
Geminal embedding scheme for optimal atomic basis set construction in correlated calculations
Sandro Sorella, Nicolas Devaux, Mario Dagrada +2
We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an…