about
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.Insights into colour-tuning of chlorophyll optical response in green plants.Application of compressed sensing to the simulation of atomic systems.Compressed Sensing for Multidimensional Spectroscopy Experiments.Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids.A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations.Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics.Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory.The structure and properties of small Pd clusters.Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities.octopus: a tool for the application of time-dependent density functional theoryTowards a gauge invariant method for molecular chiroptical properties in TDDFTCluster-surface and cluster-cluster interactions:Ab initiocalculations and modeling of asymptotic van der Waals forcesAnion Stabilization in Electrostatic EnvironmentsPrediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential
P50
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P50
description
onderzoeker
@nl
researcher ORCID ID = 0000-0002-0416-637X
@en
name
Xavier Andrade
@ast
Xavier Andrade
@en
Xavier Andrade
@es
Xavier Andrade
@nl
type
label
Xavier Andrade
@ast
Xavier Andrade
@en
Xavier Andrade
@es
Xavier Andrade
@nl
prefLabel
Xavier Andrade
@ast
Xavier Andrade
@en
Xavier Andrade
@es
Xavier Andrade
@nl
P106
P1153
14521937800
P21
P31
P496
0000-0002-0416-637X