The Highly Accurate N-DEterminant (HANDE) quantum Monte Carlo project: Open-source stochastic diagonalisation for quantum chemistry

TitleThe Highly Accurate N-DEterminant (HANDE) quantum Monte Carlo project: Open-source stochastic diagonalisation for quantum chemistry
Publication TypeJournal Article
Year of Publication2014
AuthorsSpencer, JS, Blunt, NS, Vigor, WA, Malone, FD, Foulkes, WMC, Shepherd, JJ, Thom, AJW
Date Published2014/07/21/
Publication Languageeng
AbstractThe HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communication.
URLhttp://arxiv.org/abs/1407.5407

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