Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/102613
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.contributor.author | García-Risueño, Pablo | - |
dc.contributor.author | Alberdi, Juan M. | - |
dc.contributor.author | Oliveira, Micael J. T. | - |
dc.contributor.author | Andrade, Xavier | - |
dc.contributor.author | Pippig, Michael | - |
dc.contributor.author | Muguerza, Javier | - |
dc.contributor.author | Arruabarrena, Agustín | - |
dc.contributor.author | Rubio, Angel | - |
dc.date.accessioned | 2014-09-29T09:49:38Z | - |
dc.date.available | 2014-09-29T09:49:38Z | - |
dc.date.issued | 2014 | - |
dc.identifier | doi: 10.1002/jcc.23487 | - |
dc.identifier | issn: 0192-8651 | - |
dc.identifier | e-issn: 1096-987X | - |
dc.identifier.citation | Journal of Computational Chemistry 35(6): 427-444 (2014) | - |
dc.identifier.uri | http://hdl.handle.net/10261/102613 | - |
dc.description | arXiv:1211.2092 | - |
dc.description.abstract | We present an analysis of different methods to calculate the classical electrostatic Hartree potential created by charge distributions. Our goal is to provide the reader with an estimation on the performance - in terms of both numerical complexity and accuracy - of popular Poisson solvers, and to give an intuitive idea on the way these solvers operate. Highly parallelizable routines have been implemented in a first-principle simulation code (Octopus) to be used in our tests, so that reliable conclusions about the capability of methods to tackle large systems in cluster computing can be obtained from our work. | - |
dc.publisher | Wiley-Blackwell | - |
dc.relation.isversionof | Preprint | - |
dc.rights | openAccess | - |
dc.subject | Linear scaling | - |
dc.subject | Parallelization | - |
dc.subject | Charge density | - |
dc.subject | Hartree potential | - |
dc.subject | Fast multipole method | - |
dc.subject | Parallel fast fourier transform | - |
dc.subject | Interpolating scaling functions | - |
dc.subject | Conjugate gradients | - |
dc.subject | Multigrid | - |
dc.subject | Poisson solver | - |
dc.title | A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1002/jcc.23487 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1002/jcc.23487 | - |
dc.date.updated | 2014-09-29T09:49:38Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.fulltext | With Fulltext | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
Aparece en las colecciones: | (IQF) Artículos (CFM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
survey of the parallel.pdf | 1,11 MB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
23
checked on 29-abr-2024
WEB OF SCIENCETM
Citations
22
checked on 26-feb-2024
Page view(s)
329
checked on 09-may-2024
Download(s)
294
checked on 09-may-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.