Zobrazeno 1 - 7
of 7
pro vyhledávání: '"W. A. Vigor"'
Autor:
J. S. Spencer, N. S. Blunt, W. A. Vigor, Fionn D. Malone, W. M. C. Foulkes, James J. Shepherd, A. J. W. Thom
Publikováno v:
Journal of Open Research Software, Vol 3, Iss 1, Pp e9-e9 (2015)
The 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
Externí odkaz:
https://doaj.org/article/76bb234af30741a79d5c85ac681fdcb9
Autor:
Ruth S. T. Franklin, Seonghoon Choi, W. A. Vigor, Will Handley, Jiří Etrych, W. M. C. Foulkes, Verena Neufeld, Nick S. Blunt, Thomas W. Rogers, Maria-Andreea Filip, Fionn D. Malone, James J. Shepherd, Joseph Weston, Charles J. C. Scott, James S. Spencer, Roberto Di Remigio, Alex J. W. Thom, RuQing Xu
Publikováno v:
Journal of chemical theory and computation. 15(3)
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 the past decade. The full configuration interaction quantum Monte Carl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e80788f732bbb600a580ca6405de207
https://pubmed.ncbi.nlm.nih.gov/30681844
https://pubmed.ncbi.nlm.nih.gov/30681844
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 importance and offer compelling advantages over traditional determinist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::428837b4e87dbe80d2c39b2069ff1c27
http://arxiv.org/abs/1807.03749
http://arxiv.org/abs/1807.03749
Publikováno v:
The Journal of chemical physics. 144(9)
Within Full Configuration Interaction Quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0989dc044e27a31c0473c404602c6f6
https://pubmed.ncbi.nlm.nih.gov/26957160
https://pubmed.ncbi.nlm.nih.gov/26957160
Autor:
James J. Shepherd, W. A. Vigor, Nick S. Blunt, James S. Spencer, Alex J. W. Thom, Fionn D. Malone, W. M. C. Foulkes
Publikováno v:
Journal of Open Research Software; Vol 3, No 1 (2015); e9
Journal of Open Research Software, Vol 3, Iss 1, Pp e9-e9 (2015)
Journal of Open Research Software, Vol 3, Iss 1, Pp e9-e9 (2015)
The 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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e4cf9e523249a116557ae0f42156ad3
http://arxiv.org/abs/1407.5407
http://arxiv.org/abs/1407.5407
Autor:
W N Vigor
Publikováno v:
Plastic and Reconstructive Surgery. 94:211
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::077c6e061cb0a40bd71c4fb3bdb619e4
https://doi.org/10.1097/00006534-199407000-00034
https://doi.org/10.1097/00006534-199407000-00034
Publikováno v:
American journal of surgery. 118(6)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::c3284faee06d6ad036c75ffd7e869539
https://pubmed.ncbi.nlm.nih.gov/4311648
https://pubmed.ncbi.nlm.nih.gov/4311648