Mostrando resultados 5 a 16 de 16
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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2008 | Efficient formalism for large-scale Ab initio molecular dynamics based on time-dependent density functional theory | Alonso, José Luis CSIC ORCID; Andrade, Xavier; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Prada-Gracia, D.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 2015 | Insights into colour-tuning of chlorophyll optical response in green plants | Jornet-Somoza, Joaquim CSIC ORCID; Alberdi-Rodríguez, Joseba CSIC ORCID; Milne, Bruce F.; Andrade, Xavier; Marques, Miguel A. L.; Nogueira, Fernando; Oliveira, Micael J. T.; Stewart, James J. P.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | jun-2010 | Linear and non-linear response phenomena of molecular systems within time-dependent density functional theory | Andrade, Xavier | tesis doctoral |
openAccess | | 2009 | Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics | Andrade, Xavier; Castro, Alberto; Zueco, David CSIC ORCID; Alonso, J. A. CSIC ORCID; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 2020 | Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems | Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Andrade, Xavier; Appel, H.; Borca, Carlos H.; Le Breton, Guillaume; Buchholz, Florian; Castro, Alberto; Corni, Stefano; Correa, Alfredo A.; Giovannini, Umberto de CSIC ORCID; Delgado, Alain; Eich, F. G.; Flick, Johannes; Gil, Gabriel; Gomez, Adrián; Helbig, N. CSIC ORCID; Hübener, Hannes CSIC; Jestädt, René; Jornet-Somoza, Joaquim CSIC ORCID; Larsen, Ask Hjorth CSIC ORCID; Lebedeva, Irina CSIC ORCID; Lüders, Martin; Marques, Miguel A. L.; Ohlmann, Sebastian T.; Pipolo, Silvio; Rampp, Markus; Rozzi, Carlo Andrea; Strubbe, David A.; Sato, Shunsuke A.; Schäfer, Christian; Theophilou, Iris; Welden, Alicia; Rubio, Angel CSIC ORCID | artículo |
openAccess | | sep-2006 | octopus: a tool for the application of time-dependent density functional theory | Castro, Alberto; Appel, H.; Oliveira, Micael J. T.; Rozzi, Carlo Andrea; Andrade, Xavier; Lorenzen, Florian; Marques, Miguel A. L.; Gross, E. K. U.; Rubio, Angel CSIC ORCID | artículo |
closedAccess | | 2009 | Optical and magnetic properties of boron fullerenes | Botti, Silvana; Castro, Alberto; Lathiotakis, N. N.; Andrade, Xavier; Marques, Miguel A. L. | artículo |
openAccess | | 2013 | Presentación de proyecto con acceso a PRACE: Artificial photosynthesis | Alberdi, Juan M. CSIC; Andrade, Xavier; Marques, Miguel A. L.; Nogueira, Fernando; Castro, Alberto; Rubio, Angel CSIC ORCID | presentación |
openAccess | | 2015 | Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems | Andrade, Xavier; Strubbe, David A.; Giovannini, Umberto de CSIC ORCID; Larsen, Ask Hjorth CSIC ORCID; Oliveira, Micael J. T.; Alberdi-Rodríguez, Joseba CSIC ORCID; Varas, Alejandro CSIC; Theophilou, Iris; Helbig, N. CSIC ORCID; Verstraete, Matthieu J. CSIC ORCID; Stella, Lorenzo CSIC ORCID; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 2007 | Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities | Andrade, Xavier; Botti, Silvana; Marques, Miguel A. L.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 2012 | Time-dependent density-functional theory in massively parallel computer architectures: the octopus project | Andrade, Xavier; Alberdi, Juan M. CSIC; Strubbe, David A.; Oliveira, Micael J. T.; Nogueira, Fernando; Castro, Alberto; Muguerza, Javier; Arruabarrena, Agustín; Louie, Steven G.; Aspuru-Guzik, Alán; Rubio, Angel CSIC ORCID; Marques, Miguel A. L. | artículo |
closedAccess | | 2009 | Towards a gauge invariant method for molecular chiroptical properties in TDDFT | Varsano, Daniele; Espinosa Leal, Leonardo Ándres; Andrade, Xavier; Marques, Miguel A. L.; Felice, Rosa di; Rubio, Angel CSIC ORCID | artículo |