Repositorio
Cómo publicar
Recursos
FAQs

Mostrar el registro sencillo del ítem

Siesta: recent developments and applications

dc.contributor.authorGarcía, Alberto
dc.contributor.authorPapior, Nick
dc.contributor.authorAkhtar, Arsalan
dc.contributor.authorArtacho, Emilio
dc.contributor.authorBlum, Volker
dc.contributor.authorBosoni, Emanuele
dc.contributor.authorBrandimarte, Pedro
dc.contributor.authorBrandbyge, Mads
dc.contributor.authorCerdá, J. I.
dc.contributor.authorCorsetti, Fabiano
dc.contributor.authorCuadrado, Ramón
dc.contributor.authorDikan, Vladimir
dc.contributor.authorFerrer Rodríguez, Jaime 
dc.contributor.authorGale, Julian
dc.contributor.authorGarcía Fernández, Pablo 
dc.contributor.authorGarcía Suárez, Víctor Manuel 
dc.date.accessioned2020-09-24T07:43:49Z
dc.date.available2020-09-24T07:43:49Z
dc.date.issued2020
dc.identifier.citationThe Journal of Chemical Physics, 152(20), p. 204108- (2020); doi:10.1063/5.0005077
dc.identifier.issn1089-7690
dc.identifier.urihttp://hdl.handle.net/10651/56517
dc.description.sponsorshipSiesta development was historically supported by different Spanish National Plan projects (Project Nos. MEC-DGES-PB95-0202, MCyT-BFM2000-1312, MEC-BFM2003-03372, FIS2006-12117, FIS2009-12721, FIS2012-37549, FIS2015-64886-P, and RTC-2016-5681-7), the latter one together with Simune Atomistics Ltd. We are thankful for financial support from the Spanish Ministry of Science, Innovation and Universities through Grant No. PGC2018-096955-B. We acknowledge the Severo Ochoa Center of Excellence Program [Grant Nos. SEV-2015-0496 (ICMAB) and SEV-2017-0706 (ICN2)], the GenCat (Grant No. 2017SGR1506), and the European Union MaX Center of Excellence (EU-H2020 Grant No. 824143). P.G.-F. acknowledges support from Ramón y Cajal (Grant No. RyC-2013-12515). J.I.C. acknowledges Grant No. RTI2018-097895-B-C41. R.C. acknowledges the European Union’s Horizon 2020 Research and Innovation Program under Marie Skłodoswka-Curie Grant Agreement No. 665919. D.S.P, P.K., and P.B. acknowledge Grant No. MAT2016-78293-C6, FET-Open No. 863098, and UPV-EHU Grant No. IT1246-19. V. W. Yu was supported by a MolSSI Fellowship (U.S. NSF Award No. 1547580), and V.B. and V.W.Y. were supported by the ELSI Development by the NSF (Award No. 1450280). We also acknowledge Honghui Shang and Xinming Qin for giving us access to the honpas code, where a preliminary version of the hybrid functional support described here was implemented.
dc.description.statementofresponsibilityGarcía, A., Papior, N., Akhtar, A., Artacho, E., Blum, V., Bosoni, E., Brandimarte, P., Brandbyge, M., Cerdá, J.I., Corsetti, F., Cuadrado, R., Dikan, V., Ferrer, J., Gale, J., García-Fernández, P., García-Suárez, V.M., García, S., Huhs, G., Illera, S., Korytár, R., Koval, P., Lebedeva, I., Lin, L., López-Tarifa, P., Mayo, S.G., Mohr, S., Ordejón, P., Postnikov, A., Pouillon, Y., Pruneda, M., Robles, R., Sánchez-Portal, D., Soler, J.M., Ullah, R., Yu, V.W.-Z., Junquera, J.
dc.format.extentp. 204108-
dc.language.isoeng
dc.relation.ispartofThe Journal of Chemical Physics
dc.rights© 2020 los autores
dc.rightsCC Reconocimiento 4.0 Internacional
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.sourceScopus
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85085909612&doi=10.1063%2f5.0005077&partnerID=40&md5=f432a1dd974fcfd2b1b122c4200d5a5e
dc.titleSiesta: recent developments and applications
dc.typejournal article
dc.identifier.doi10.1063/5.0005077
dc.relation.projectIDinfo:eu‐repo/grantAgreement/EC/H2020/665919
dc.relation.projectIDinfo:eu‐repo/grantAgreement/EC/H2020/824143
dc.relation.projectIDPGC2018-096955-B
dc.relation.publisherversionhttp://dx.doi.org/10.1063/5.0005077
dc.rights.accessRightsopen access
dc.type.hasVersionAM


Ficheros en el ítem

untranslated
Nombre:
Garcia-2020-Siesta-recent-deve ...
Tamaño:
6.686Mb
Formato:
PDF
Descripción:
Postprint

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem

© 2020 los autores
Este ítem está sujeto a una licencia Creative Commons