List of works - Xavier Andrade

<scp>Inq</scp>, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory

scientific article published on 02 November 2021

A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

scientific article published on 19 November 2013

Anion Stabilization in Electrostatic Environments

scientific article published on 7 March 2011

Application of compressed sensing to the simulation of atomic systems ⬇️

scientific article published on August 13, 2012

Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids

scientific article published on July 2010

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

Compressed Sensing for Multidimensional Spectroscopy Experiments

scientific article published on 11 September 2012

Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory

scientific article published on 28 August 2008

Insights into colour-tuning of chlorophyll optical response in green plants

scientific article

Measurement of the absolute Raman cross section of the optical phonons in type Ia natural diamond

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

scientific article published in April 2009

Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential ⬇️

scientific article published on October 28, 2011

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

scientific article

The structure and properties of small Pd clusters.

scientific article published on 15 April 2008

Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities

scientific article published in May 2007

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

scientific article

Towards a gauge invariant method for molecular chiroptical properties in TDDFT

scientific article published on 14 April 2009

octopus: a tool for the application of time-dependent density functional theory ⬇️

2006 scientific article

List of works by Xavier Andrade

<scp>Inq</scp>, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory

A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

Anion Stabilization in Electrostatic Environments

Application of compressed sensing to the simulation of atomic systems ⬇️

Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids

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

Compressed Sensing for Multidimensional Spectroscopy Experiments

Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory

Insights into colour-tuning of chlorophyll optical response in green plants

Measurement of the absolute Raman cross section of the optical phonons in type Ia natural diamond

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

Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential ⬇️

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

The structure and properties of small Pd clusters.

Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities

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

Towards a gauge invariant method for molecular chiroptical properties in TDDFT

octopus: a tool for the application of time-dependent density functional theory ⬇️