Xavier Andrade

发表

TDDFT in massively parallel computer architectures: the OCTOPUS project

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2012 .

Massively Parallel Electron Dynamics in Metals

Xavier Andrade, John A. Gunnels, Abhinav Bhatele, 2015 .

Xavier Andrade, Maria Inês Verdelho, Armando Leitão, 2019 .

Massively Parallel First-Principles Simulation of Electron Dynamics in Materials

Xavier Andrade, John A. Gunnels, Abhinav Bhatele, 2016, 2016 IEEE International Parallel and Distributed Processing Symposium (IPDPS).

Massively Parallel First-Principles Simulation of Electron Dynamics in Materials

Xavier Andrade, John A. Gunnels, Abhinav Bhatele, 2016, 2016 IEEE International Parallel and Distributed Processing Symposium (IPDPS).

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

Xavier Andrade, Joseba Alberdi-Rodriguez, Micael J. T. Oliveira, 2012, J. Comput. Chem..

Compressed Sensing for Multidimensional Spectroscopy Experiments.

Xavier Andrade, Alán Aspuru-Guzik, Jacob N Sanders, 2012, The journal of physical chemistry letters.

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

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2015, Physical chemistry chemical physics : PCCP.

On Implementing Autonomic Systems with a Serverless Computing Approach: The Case of Self-Partitioning Cloud Caches

Cristina L. Abad, Xavier Andrade, Edwin F. Boza, 2020, Comput..

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

Xavier Andrade, Angel Rubio, Alberto Castro, 2020, The Journal of chemical physics.

RiSC: Quantifying change after natural disasters to estimate infrastructure damage with mobile phone data

Xavier Andrade, Eduardo Cruz, Carmen Vaca, 2018, 2018 IEEE International Conference on Big Data (Big Data).

Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods.

Xavier Andrade, Alán Aspuru-Guzik, Alán Aspuru-Guzik, 2013, Journal of chemical theory and computation.

Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations

Xavier Andrade, Alán Aspuru-Guzik, Jacob N. Sanders, 2015, ACS central science.

Optimizing Cloud Caches For Free: A Case for Autonomic Systems with a Serverless Computing Approach

Cristina L. Abad, Xavier Andrade, Edwin F. Boza, 2019, 2019 IEEE 4th International Workshops on Foundations and Applications of Self* Systems (FAS*W).

Linear and non-linear response phenomena of molecular systems within time-dependent density functional theory

Xavier Andrade, 2010 .

The structure and properties of small Pd clusters

Xavier Andrade, José Rogan, Miguel Kiwi, 2008, Nanotechnology.

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

Xavier Andrade, Angel Rubio, Miguel A. L. Marques, 2008, 0806.2946.

More Accurate and Efficient Bath Spectral Densities from Super-Resolution

Xavier Andrade, John Parkhill, Samuel M. Blau, 2013, 1307.4407.

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

Xavier Andrade, David A. Strubbe, Angel Rubio, 2010, The Journal of chemical physics.

Anion Stabilization in Electrostatic Environments

Xavier Andrade, Roberto Olivares-Amaya, Michael Stopa, 2011 .

Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential.

Xavier Andrade, Alán Aspuru-Guzik, X. Andrade, 2011, Physical review letters.

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

Xavier Andrade, Joseba Alberdi-Rodriguez, Micael J. T. Oliveira, 2015, Physical chemistry chemical physics : PCCP.

Optical and magnetic properties of boron fullerenes.

Xavier Andrade, Miguel A L Marques, Nektarios N Lathiotakis, 2009, Physical chemistry chemical physics : PCCP.

Application of Graphics Processing Units to Accelerate Real‐Space Density Functional Theory and Time‐Dependent Density Functional Theory Calculations

Xavier Andrade, Alán Aspuru-Guzik, X. Andrade, 2016 .

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

Xavier Andrade, Alán Aspuru-Guzik, Semion K. Saikin, 2012 .

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

Xavier Andrade, Pablo Echenique, David Zueco, 2008, Journal of chemical theory and computation.

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

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

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

Xavier Andrade, Angel Rubio, Miguel A L Marques, 2007, The Journal of chemical physics.

Towards a gauge invariant method for molecular chiroptical properties in TDDFT.

Xavier Andrade, Angel Rubio, Daniele Varsano, 2009, Physical chemistry chemical physics : PCCP.