Showing results (1-10 of 134) with videos related to

Sort By:
Pageof 14
The 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.
Physical Review Letters|October 4, 2005
Diffusion Monte Carlo method with lattice regularizationMichele Casula, Claudia Filippi, Sandro Sorella
The Journal of Chemical Physics|November 21, 2025
Load-balanced diffusion Monte Carlo method with lattice regularizationKousuke Nakano, Sandro Sorella, Michele Casula
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 Rocca
The Journal of Chemical Physics|October 12, 2004
Correlated geminal wave function for molecules: an efficient resonating valence bond approachMichele Casula, Claudio Attaccalite, Sandro Sorella
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|May 23, 2016
Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte CarloClaudia Filippi, Roland Assaraf, Saverio Moroni
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.
Pageof 14