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List of works by Alberto Castro

Ab initiomolecular dynamics on the electronic Boltzmann equilibrium distribution

article

Acceleration of quantum optimal control theory algorithms with mixing strategies.

scientific article published on 15 May 2009

Alignment-Dependent Ionization ofN2,O2, andCO2in Intense Laser Fields ⬇️

scientific article published on June 4, 2010

Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

article by J.I. Martínez et al published November 2004 in Chemical Physics Letters

Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces

scholarly article in Physical Review B, vol. 78 no. 3, July 2008

Coherent quantum switch driven by optimized laser pulses

Controlling the dynamics of many-electron systems from first principles: a combination of optimal control and time-dependent density-functional theory.

scientific article published on 12 October 2012

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbons

scientific article published on 01 July 2007

Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme

Excited states dynamics in time-dependent density functional theory

article

Femtosecond laser pulse shaping for enhanced ionization

Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics

scientific article published in April 2009

Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

article

Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble

scientific article published on 25 February 2015

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

scientific article published on 01 March 2020

On the Combination of TDDFT with Molecular Dynamics: New Developments

On the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of Nanostructures

scientific article published on 01 July 2008

Optical Properties of Nanostructures from Time-Dependent Density Functional Theory

Optical absorption of the blue fluorescent protein: a first-principles study

scientific article published in September 2005

Optical and magnetic properties of boron fullerenes

scientific article published on 09 April 2009

Optimal Control of Quantum Rings by Terahertz Laser Pulses

scientific article published in Physical Review Letters

Optimal control of high-harmonic generation by intense few-cycle pulses ⬇️

article

Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory

article

Optimal laser control of double quantum dots

scholarly article in Physical Review B, vol. 77 no. 8, February 2008

Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulses

Propagators for Quantum-Classical Models: Commutator-Free Magnus Methods

scientific article published on 18 February 2020

Propagators for the time-dependent Kohn-Sham equations

scientific article published in August 2004

Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods

scientific article published on 19 April 2018

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

scientific article

Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory

article

Solution of Poisson's equation for finite systems using plane-wave methods

Statistics and Nosé formalism for Ehrenfest dynamics

article

Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra ⬇️

The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

scientific article published in October 2008

Theoretical Shaping of Femtosecond Laser Pulses for Molecular Photodissociation with Control Techniques Based on Ehrenfest's Dynamics and Time-Dependent Density Functional Theory.

scientific article

Theoretical Shaping of Femtosecond Laser Pulses for Ultrafast Molecular Photo‐Dissociation with Control Techniques Based on Time‐Dependent Density Functional Theory ⬇️

scientific article published on March 26, 2013

Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

scientific article published in Physical Review Letters

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project

scientific article

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