about
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.Theoretical Shaping of Femtosecond Laser Pulses for Molecular Photodissociation with Control Techniques Based on Ehrenfest's Dynamics and Time-Dependent Density Functional Theory.Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics.Optical absorption of the blue fluorescent protein: a first-principles study.Controlling the dynamics of many-electron systems from first principles: a combination of optimal control and time-dependent density-functional theory.Acceleration of quantum optimal control theory algorithms with mixing strategies.Propagators for the time-dependent Kohn-Sham equations.Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods.The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures.Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small moleculesOn the Combination of TDDFT with Molecular Dynamics: New DevelopmentsStatistics and Nosé formalism for Ehrenfest dynamicsAb initiomolecular dynamics on the electronic Boltzmann equilibrium distributionNonextensive thermodynamic functions in the Schrödinger-Gibbs ensembleTailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectraEnhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional schemeOptimal control of high-harmonic generation by intense few-cycle pulsesSimulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional TheoryFemtosecond laser pulse shaping for enhanced ionizationThe challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?Cluster-surface and cluster-cluster interactions:Ab initiocalculations and modeling of asymptotic van der Waals forcesOn the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of NanostructuresOptimal laser control of double quantum dotsOptimal Control of Quantum Rings by Terahertz Laser PulsesCalculation of the optical spectrum of the Ti8C12 and V8C12 Met-CarsExcited states dynamics in time-dependent density functional theoryOptical Properties of Nanostructures from Time-Dependent Density Functional TheorySolution of Poisson's equation for finite systems using plane-wave methodsTime-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent ProteinOptimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theoryOptimization schemes for selective molecular cleavage with tailored ultrashort laser pulsesCoherent quantum switch driven by optimized laser pulsesOptical and magnetic properties of boron fullerenesEfficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbonsOctopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systemsPropagators for Quantum-Classical Models: Commutator-Free Magnus Methods
P50
Q30316743-0C8F9E01-B41A-4B4F-BF6E-481F4A41DBE7Q35946614-CFE6D0A9-E425-40BA-917A-7CB702570FD6Q47801519-8D48EA74-621B-435E-8835-B072BB6FAD69Q50077029-5A69021F-61F0-4257-9644-7B2AB7513718Q50483210-97044D54-D09E-4536-87C9-EECFD30443F4Q51306160-FC7D48A7-3094-49B0-964E-2F711D25AD4FQ51821524-22BE18E7-AB37-45EC-B2F1-A03436199E8CQ51992167-470C47EB-E9A2-4ECB-8A39-87C4E67D031EQ52381377-DE6FE6B2-4BCA-43BA-9E1D-85E7AF941B74Q52914340-0635B1A8-502A-4ED4-9689-A55FA18E71C2Q56903532-4C883075-BDDA-48BA-B838-C2F75EF653F7Q56903536-1A69C368-1E6D-4191-AC49-1CCBC38F9B03Q56903550-9B8C9BF4-1EC6-48FB-97BA-D4C39A40F2AAQ56903567-1FBA3501-25B2-4F81-A682-DE8F12A071C2Q57089030-A2763B29-44CC-4F59-876F-EA9B2EC629EFQ57394827-727FD619-4733-4A64-89BF-679B4C2A7858Q57394834-57CAE178-D076-423D-9100-F4ABED314E1DQ57394853-1DA3AF43-4455-46CC-8417-91D0BDF91319Q57394869-579BAEA9-7AB5-489A-A574-13B9F246114CQ57394949-B6A28C6A-468C-4AC6-9AD6-35565443D7A8Q57394955-B8C6AB40-0DAD-408B-BC26-ED538172C43CQ57394960-4B5C849D-2839-464E-828F-248938296B43Q57394961-414751D1-1FDE-4F42-BBBC-BDEB65F145B8Q57394962-A2DED777-27E3-4912-A127-CD92286BDDB5Q57394971-3EF91039-D8C6-468E-92E9-35BCA63B8877Q57394991-4F5B50A9-474B-457F-BC9A-A8252B4063CAQ57395001-A4C2DD53-3E7A-4E96-93B5-073351FD8BDFQ57395008-C540FEA7-BC0C-4F1F-871E-F681BBB75807Q57395028-AD15B55E-6289-4870-8C89-3696FD6AAB74Q57395034-8D028304-85B8-479C-8ED7-208DACD33087Q57604552-05DA32F5-66B3-4D51-9338-6C881EEC14BEQ57604665-24277B02-7595-4DBF-8CD8-7245F6C2E079Q57604767-775AC81A-64DC-4356-85E4-567E7AC21269Q57796146-314F22C4-D01F-4BB5-A186-A72A20BD474BQ57796158-B7D23FCF-C074-4CBA-B698-D35C11E209FCQ91514946-646E2468-0397-4DFE-AEFA-9248B69AD1B1Q93060174-97A07068-234A-450B-94ED-7ED983D63FFD
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Alberto Castro
@ast
Alberto Castro
@en
Alberto Castro
@es
Alberto Castro
@nl
Alberto Castro
@sl
type
label
Alberto Castro
@ast
Alberto Castro
@en
Alberto Castro
@es
Alberto Castro
@nl
Alberto Castro
@sl
prefLabel
Alberto Castro
@ast
Alberto Castro
@en
Alberto Castro
@es
Alberto Castro
@nl
Alberto Castro
@sl
P1053
C-2557-2008
P106
P21
P31
P3829
P496
0000-0002-9253-7926