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The Journal of Chemical Physics|April 17, 2015
Ab initio molecular dynamics simulation of liquid water by quantum Monte CarloAndrea Zen, Ye Luo, Guglielmo Mazzola, et al.Journal of Chemical Theory and Computation|April 4, 2023
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power AnsatzAbhishek Raghav, Ryo Maezono, Kenta Hongo, et al.Journal of Chemical Theory and Computation|November 19, 2015
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power AnsatzAndrea Zen, Emanuele Coccia, Ye Luo, et al.Journal of Chemical Theory and Computation|November 24, 2015
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to EthyneEmanuele Coccia, Olga Chernomor, Matteo Barborini, et al.The Journal of Chemical Physics|December 11, 2023
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methodsKousuke Nakano, Oto Kohulák, Abhishek Raghav, et al.Journal of Chemical Theory and Computation|April 26, 2017
Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin DynamicsFélix Mouhat, Sandro Sorella, Rodolphe Vuilleumier, et al.Journal of Chemical Theory and Computation|November 19, 2015
Quantum Monte Carlo Study of the Protonated Water DimerMario Dagrada, Michele Casula, Antonino M Saitta, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Thermodynamics and kinetics of carbon deposits on cobalt: a combined density functional theory and kinetic Monte Carlo studyAntonius P J Jansen, Ravi Agrawal, Leonardo SpanuPhysical Review Letters|February 1, 2008
Thermal conductivity of isolated and interacting carbon nanotubes: comparing results from molecular dynamics and the boltzmann transport equationDavide Donadio, Giulia GalliPhysical Review Letters|June 13, 2009
Atomistic simulations of heat transport in silicon nanowiresDavide Donadio, Giulia GalliPageof 39