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dc.contributor.authorAndrade, Xavier
dc.contributor.authorDe Giovannini, Umberto
dc.contributor.authorLarsen, Ask Hjorth
dc.contributor.authorOliveira, Micael J. T.
dc.contributor.authorAlberdi-Rodriguez, Joseba
dc.contributor.authorVaras, Alejandro
dc.contributor.authorTheophilou, Iris
dc.contributor.authorHelbig, Nicole
dc.contributor.authorVerstraete, Matthieu J.
dc.contributor.authorStella, Lorenzo
dc.contributor.authorNogueira, Fernando
dc.contributor.authorAspuru-Guzik, Alán
dc.contributor.authorCastro, Alberto
dc.contributor.authorMarques, Miguel A. L.
dc.contributor.authorRubio, Angel
dc.contributor.authorStrubbe, David Alan
dc.date.accessioned2018-09-17T14:45:03Z
dc.date.available2018-09-17T14:45:03Z
dc.date.issued2015-02
dc.date.submitted2015-01
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.urihttp://hdl.handle.net/1721.1/117777
dc.description.abstractReal-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time of implementing and testing new physical models. Based on our experience with the Octopus code, in this article we discuss how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems. Among these applications are approaches to calculate response properties, modeling of photoemission, optimal control of quantum systems, simulation of plasmonic systems, and the exact solution of the Schrödinger equation for low-dimensionality systems.en_US
dc.description.sponsorshipUnited States. Defense Advanced Research Projects Agency (Grant DE-AR0000180)en_US
dc.publisherRoyal Society of Chemistry (RSC)en_US
dc.relation.isversionofhttp://dx.doi.org/10.1039/C5CP00351Ben_US
dc.rightsCreative Commons Attribution 3.0 Unported licenseen_US
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/en_US
dc.sourceRoyal Society of Chemistryen_US
dc.titleReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systemsen_US
dc.typeArticleen_US
dc.identifier.citationAndrade, Xavier et al. “Real-Space Grids and the Octopus Code as Tools for the Development of New Simulation Approaches for Electronic Systems.” Physical Chemistry Chemical Physics 17, 47 (February 2015): 31371–31396 © 2015 Royal Society of Chemistryen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.contributor.mitauthorStrubbe, David Alan
dc.relation.journalPhysical Chemistry Chemical Physicsen_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dc.date.updated2018-09-17T12:16:12Z
dspace.orderedauthorsAndrade, Xavier; Strubbe, David; De Giovannini, Umberto; Larsen, Ask Hjorth; Oliveira, Micael J. T.; Alberdi-Rodriguez, Joseba; Varas, Alejandro; Theophilou, Iris; Helbig, Nicole; Verstraete, Matthieu J.; Stella, Lorenzo; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; Marques, Miguel A. L.; Rubio, Angelen_US
dspace.embargo.termsNen_US
dc.identifier.orcidhttps://orcid.org/0000-0003-2426-5532
mit.licensePUBLISHER_CCen_US


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