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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 | | 31-ago-2012 | Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules | Alonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Echenique, Pablo CSIC ORCID; Mazo, J. J. CSIC ORCID; Polo, Víctor CSIC ORCID; Rubio, Angel CSIC ORCID; Zueco, David CSIC ORCID | artículo |
openAccess | | 2015 | Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble | Alonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Esteve, J.G.; Falceto, F. | 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 | | mar-2003 | octopus: a first-principles tool for excited electron–ion dynamics | Marques, Miguel A. L.; Castro, Alberto; Bertsch, George F.; 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 |
openAccess | | 2012 | On the combination of TDDFT with molecular dynamics: New developments | Alonso, José Luis CSIC ORCID; Castro, Alberto; Echenique, Pablo CSIC ORCID; Rubio, Angel CSIC ORCID | capítulo de libro |
closedAccess | | jul-2008 | On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures | Oliveira, Micael J. T.; Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel CSIC ORCID | artículo |
closedAccess | | 2005 | Optical absorption of the blue fluorescent protein: A first-principles study | López, Xabier; Marques, Miguel A. L.; Castro, Alberto; Rubio, Angel CSIC ORCID | artículo |
closedAccess | | 2006 | Optical absorption spectra of V+4 isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory | Martínez, José I. CSIC ORCID ; Castro, Alberto; Rubio, Angel CSIC ORCID; Alonso, J. A. 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 | | sep-2004 | Optical properties of nanostructures from time-dependent density functional theory | Castro, Alberto; Marques, Miguel A. L.; Alonso, J. A. CSIC ORCID; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 2014 | Optimal control of high-harmonic generation by intense few-cycle pulses | Solanpää, J.; Budagosky, J. A.; Shvetsov-Shilovski, N. I.; Castro, Alberto; Rubio, Angel CSIC ORCID; Räsänen, E. | artículo |
openAccess | | 2022 | Optimal control of molecular spin qudits | Castro, Alberto; García Carrizo, Adrián; Roca, Sebastián CSIC ORCID; Zueco, David CSIC ORCID; Luis, Fernando CSIC ORCID | artículo |
openAccess | | 2022 | Optimal control of molecular spin qudits | Castro, Alberto; García Carrizo, Adrián; Zueco, David CSIC ORCID; Luis, Fernando CSIC ORCID | comunicación de congreso |
openAccess | | abr-2007 | Optimal control of quantum rings by terahertz laser pulses | Räsänen, E.; Castro, Alberto; Werschnik, J.; Rubio, Angel CSIC ORCID; Gross, E. K. U. | artículo |
closedAccess | | 2-oct-2019 | Optimal control theory for quantum electrodynamics: an initial state problem | Castro, Alberto; Appel, H.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 27-feb-2008 | Optimal laser control of double quantum dots | Räsänen, E.; Castro, Alberto; Werschnik, J.; Rubio, Angel CSIC ORCID; Gross, E. K. U. | artículo |
openAccess | | 2006 | Photoabsorption spectra of Ti8 C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory | Martínez, José I. CSIC ORCID ; Castro, Alberto; Rubio, Angel CSIC ORCID; Alonso, J. A. CSIC ORCID | 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 |