2 papers
physics.comp-ph2018
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
James S. Spencer, Nick S. Blunt, Seonghoon Choi +15
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over…
physics.chem-ph2018
Large Scale Parallelization in Stochastic Coupled Cluster
James S. Spencer, Verena A. Neufeld, William A. Vigor +2
Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to ever-larger systems. Stochastic approaches to quantum chemistry have grown in i…