Publications

Title Yearsort ascending
Optimal control theory for quantum- classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory 2014
Water Molecules in Ultrashort Intense Laser Fields 2013
Theoretical Shaping of Femtosecond Laser Pulses for Ultrafast Molecular Photo-Dissociation with Control Techniques Based on Time-Dependent Density Functional Theory 2013
Analysis and control of the electronic motion with time-dependent density-functional theory: new developments in the octopus code 2013
Simulating pump-probe photo-electron and absorption spectroscopy in the attosecond time-scale with time-dependent density-functional theory 2013
Pump-probe photo-electron and absorption spectroscopy in the atto-second time-scale with time-dependent density-functional theory 2013
TDDFT in massively parallel computer architectures: the octopus project 2012
Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules 2012
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project 2012
Quantum Optimal Control 2012
Controlling the Dynamics of Many-Electron Systems from First Principles: A Combination of Optimal Control and Time-Dependent Density-Functional Theory 2012
On the Combination of TDDFT with Molecular Dynamics: New Developments 2012
Pump-probe photo-electron and absorption spectroscopy in the attosecond time-scale with time-dependent density-functional theory 2012
Theoretical shaping of femtosecond laser pulses for ultrafast molecular photo-dissociation with control techniques based on time-dependent density-functional theory 2012
Scattering of a proton with the Li_4 cluster: non-adiabatic molecular dynamics description based on time-dependent density-functional theory 2012
Quantum optimal control theory in the linear response formalism 2011
TDDFT for nanostructures and biomolecules 2011
Optimal control of the electronic current density: Application to one- and two-dimensional one-electron systems 2011
Statistics and Nosé formalism for Ehrenfest dynamics 2011
Optimization Schemes for Selective Molecular Cleavage with Tailored Ultrashort Laser Pulses 2011

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