536 citations · 2k across the 40 of their papers we have counts for
39 papers
Optimizing Floquet engineering for non-equilibrium steady states with gradient-based methods
Alberto Castro, Shunsuke A. Sato
Non-equilibrium steady states are created when a periodically driven quantum system is also incoherently interacting with an environment -- as it is the case in most realistic situ…
Floquet engineering the band structure of materials with optimal control theory
Alberto Castro, Umberto de Giovannini, Shusuke A. Sato +2
We demonstrate that the electronic structure of a material can be deformed into Floquet pseudo-bands with arbitrarily tailored shapes. We achieve this goal with a novel combination…
About the computation of finite temperatureensemble averages of hybrid quantum-classicalsystems with Molecular Dynamics
J. L. Alonso, C. Bouthelier, A. Castro +2
Molecular or condensed matter systems are often well approximated by hybrid quantum-classical models: the electrons retain their quantum character, whereas the ions are considered…
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 +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
Optimal control theory for quantum electrodynamics: an initial state problem
Alberto Castro, Heiko Appel, Angel Rubio
In conventional quantum optimal control theory, the parameters that determine an external field are optimised to maximise some predefined function of the trajectory, or of the fina…
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 +1
We examine various integration schemes for the time-dependent Kohn-Sham equations. Contrary to the time-dependent Schrödinger's equation, this set of equations is non-linear, due t…