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The Journal of Chemical Physics|July 14, 2007
Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methodsSandro Sorella, Michele Casula, Dario RoccaPhysical Review Letters|October 4, 2005
Diffusion Monte Carlo method with lattice regularizationMichele Casula, Claudia Filippi, Sandro SorellaThe Journal of Chemical Physics|November 21, 2025
Load-balanced diffusion Monte Carlo method with lattice regularizationKousuke Nakano, Sandro Sorella, Michele CasulaThe Journal of Chemical Physics|October 12, 2004
Correlated geminal wave function for molecules: an efficient resonating valence bond approachMichele Casula, Claudio Attaccalite, Sandro SorellaThe Journal of Chemical Physics|April 29, 2010
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisitedMichele Casula, Saverio Moroni, Sandro Sorella, et al.The Journal of Chemical Physics|June 24, 2010
Resonating valence bond wave function with molecular orbitals: application to first-row moleculesMariapia Marchi, Sam Azadi, Michele Casula, et al.The Journal of Chemical Physics|June 8, 2015
Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatzNicolas Dupuy, Samira Bouaouli, Francesco Mauri, 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.Pageof 11