Dr. Alberto Castro - Publications


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These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst
Michael Wagstaffe, Lukas Wenthaus, Adrian Dominguez-Castro, Simon Chung, Guilherme Dalla Lana Semione, Steffen Palutke, Giuseppe Mercurio, Siarhei Dziarzhytski, Harald Redlin, Nicolai Klemke, Yudong Yang, Thomas Frauenheim, Adriel Dominguez, Franz Kärtner, Angel Rubio, Wilfried Wurth, Andreas Stierle,, Heshmat Noei
ACS Catalysis 10,22, 13650 - 13658 (2020)
Single- and double-charge transfer in the Ne2+ + He collision within time-dependent density-functional theory
Wandong Yu,Cong-Zhang Gao,Shunsuke A. Sato,Alberto Castro,Angel Rubio, Baoren Wei1
Physical Review A (submitted), (2020)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, Angel Rubio
Journal of Chemical Physics 152, 124119 (2020)
Optimal control theory for quantum electrodynamics: an initial state problem
Alberto Castro,Heiko Appel, Angel Rubio
European Physical Journal B 92:223 (2019)
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
Adrián Gómez Pueyo,Miguel A. L. Marques,Angel Rubio, Alberto Castro
Journal Of Chemical Theory And Computation 14,6, 3040 - 3052 (2018)
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
J. Walkenhorst, U.De Giovannini, A.Castro, A. Rubio
European Physical Journal B 89, 128 (2016)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
Alberto Castro,Angel Rubio, E.K.U. Gross
European Physical Journal B 88, (2015)
Optimal Control of High-Harmonic Generation by Intense Few-Cycle Pulse
J. Solanpaa,J. A. Budagosky,N. I. Shvetsov-Shilovski,A. Castro,A. Rubio, E. Rasanen
Physical Review A 90, 053402 (2014)
Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
U. De Giovannini, G. Brunetto, A. Castro, J. Walkenhorst, A. Rubio
Chemphyschem 14, 1363 - 1376 (2013)
Non-adiabatic effects within a single thermally-averaged potential energy surface: Thermal expansion and reaction rates of small molecules
J. L. Alonso, A. Castro, J. Clemente-Gallardo, P. Echenique, J. J. Mazo, V. Polo, A. Rubio, D. Zueco
Journal of Chemical Physics 137, 22A533 (2012)
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
X. Andrade, J. Alberdi-Rodriguez,, D. A Strubbe, M.J T Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G Louie, A. Aspuru-Guzik, A. Rubio, M.A.L. Marques
Journal Of Physics-Condensed Matter 24, 233202 (2012)
On the combination of TDDFT with molecular dynamics: new developments
J. L. Alonso, A. Castro, P. Echenique, A. Rubio
Fundamentals of Time dependent density functional theory, Lecture Notes in Physics, Ed. M.A.L. Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio, Springer Vol. 837, (2012)
Quantum optimal control theory in the linear response formalism
A. Castro, I. V. Tokatly
Physical Review A 84, 033410 (2011)
Ab Initio Molecular Dynamics on the Electronic Boltzmann Equilibrium Distribution
J.L. Alonso, A. Castro, P. Echenique, V. Polo, A. Rubio, D. Zueco
New Journal Of Physics 12, 083064 (2010)