Xavier Andrade

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Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHBestätigte E-Mail-Adresse bei mpsd.mpg.de
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Bestätigte E-Mail-Adresse bei utoronto.ca
Miguel Alexandre Lopes MarquesRC-FEMS, ICAMS, and Faculty of Mechanical Engineering, Ruhr University BochumBestätigte E-Mail-Adresse bei rub.de
Alberto CastroARAID Foundation and Institute for Biocomputation and Physics of Complex Systems, University ofBestätigte E-Mail-Adresse bei bifi.es
Micael J. T. OliveiraMax Planck Institute for the Structure and Dynamics of MatterBestätigte E-Mail-Adresse bei mpsd.mpg.de
Alfredo A. CorreaGroup Leader, Quantum Simulations Group Physics, Lawrence Livermore National LaboratoryBestätigte E-Mail-Adresse bei llnl.gov
David A StrubbeDepartment of Physics, University of California, MercedBestätigte E-Mail-Adresse bei ucmerced.edu
Fernando NogueiraCoimbraBestätigte E-Mail-Adresse bei uc.pt
Jacob SandersNIH Postdoctoral Scholar, University of California, Los AngelesBestätigte E-Mail-Adresse bei chem.ucla.edu
Javier MuguerzaUniversity of the Basque countryBestätigte E-Mail-Adresse bei ehu.es
Silvana BottiRC-FEMS and Faculty of Physics, Ruhr University Bochum, GermanyBestätigte E-Mail-Adresse bei rub.de
Steven G. LouieProfessor of Physics, University of California at BerkeleyBestätigte E-Mail-Adresse bei berkeley.edu
E.K.U. GrossThe Hebrew University of Jerusalem eberhard.gross'at'mail.huji.ac.ilBestätigte E-Mail-Adresse bei mail.huji.ac.il
Carlo Andrea RozziCNR - Istituto NanoscienzeBestätigte E-Mail-Adresse bei nano.cnr.it
Pablo Echenique-RobbaStaff Scientist, Instituto de Química Física Blas Cabrera, CSICBestätigte E-Mail-Adresse bei iqf.csic.es
Umberto De GiovanniniUniversità di Palermo and Max Planck Institute for the Structure and Dynamics of MatterBestätigte E-Mail-Adresse bei mpsd.mpg.de
Matthieu VerstraeteProfessor of Physics, University of Liege, BelgiumBestätigte E-Mail-Adresse bei uliege.be
Iris TheophilouRisk.ident GmbHBestätigte E-Mail-Adresse bei riskident.com
Ask Hjorth LarsenDepartment of Physics, Technical University of DenmarkBestätigte E-Mail-Adresse bei dtu.dk
Diego Prada-GraciaComputational Biology and Drug Design Research Unit. Hospital Infantil de México Federico GómezBestätigte E-Mail-Adresse bei himfg.edu.mx

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Xavier Andrade

Lawrence Livermore National Laboratory

Bestätigte E-Mail-Adresse bei llnl.gov

Density Functional Theory Electronic Excitations High Performance Computing Computational Physics Computational chemistry


Titel Nach Zitationen sortieren Nach Jahr sortieren Nach Titel sortieren	Zitiert von Zitiert von	Jahr
octopus: a tool for the application of time‐dependent density functional theory A Castro, H Appel, M Oliveira, CA Rozzi, X Andrade, F Lorenzen, ... physica status solidi (b) 243 (11), 2465-2488, 2006	750	2006
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ... Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015	586	2015
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020	364	2020
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ... Journal of Physics: Condensed Matter 24 (23), 233202, 2012	330	2012
Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics X Andrade, A Castro, D Zueco, JL Alonso, P Echenique, F Falceto, ... Journal of Chemical Theory and Computation 5 (4), 728-742, 2009	181	2009
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper) polarizabilities X Andrade, S Botti, MAL Marques, A Rubio The Journal of chemical physics 126, 184106, 2007	158	2007
Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory JL Alonso, X Andrade, P Echenique, F Falceto, D Prada-Gracia, A Rubio Physical review letters 101 (9), 96403, 2008	138	2008
Compressed Sensing for Multidimensional Spectroscopy Experiments JN Sanders, SK Saikin, S Mostame, X Andrade, JR Widom, AH Marcus, ... The Journal of Physical Chemistry Letters 3 (18), 2697-2702, 2012	81	2012
Massively Parallel First-Principles Simulation of Electron Dynamics in Materials EW Draeger, X Andrade, JA Gunnels, A Bhatele, A Schleife, AA Correa 2016 IEEE International Parallel and Distributed Processing Symposium (IPDPS …, 2016	75	2016
Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential X Andrade, A Aspuru-Guzik Physical Review Letters 107 (18), 183002, 2011	72	2011
Real-space density functional theory on graphical processing units: computational approach and comparison to Gaussian basis set methods X Andrade, A Aspuru-Guzik Journal of Chemical Theory and Computation 9 (10), 4360-4373, 2013	70	2013
Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase: Geometry, chemical order, magnetism, and … F Aguilera-Granja, A Vega, J Rogan, X Andrade, G García Physical Review B—Condensed Matter and Materials Physics 74 (22), 224405, 2006	67	2006
Application of compressed sensing to the simulation of atomic systems X Andrade, JN Sanders, A Aspuru-Guzik Proceedings of the National Academy of Sciences 109 (35), 13928-13933, 2012	64	2012
Towards a gauge invariant method for molecular chiroptical properties in TDDFT D Varsano, LA Espinosa-Leal, X Andrade, MAL Marques, R di Felice, ... Phys. Chem. Chem. Phys. 11 (22), 4481-4489, 2009	64	2009
Basis set effects on the hyperpolarizability of CHCl: Gaussian-type orbitals, numerical basis sets and real-space grids FD Vila, DA Strubbe, Y Takimoto, X Andrade, A Rubio, SG Louie, JJ Rehr The Journal of chemical physics 133, 034111, 2010	63	2010
Optical and magnetic properties of boronfullerenes S Botti, A Castro, NN Lathiotakis, X Andrade, MAL Marques Phys. Chem. Chem. Phys. 11 (22), 4523-4527, 2009	62	2009
Insights into colour-tuning of chlorophyll optical response in green plants J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ... Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015	59	2015
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces S Botti, A Castro, X Andrade, A Rubio, MAL Marques Physical Review B 78 (3), 035333, 2008	41	2008
A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations P García‐Risueño, J Alberdi‐Rodriguez, MJT Oliveira, X Andrade, ... Journal of computational chemistry, 2013	38	2013
Negative differential conductivity in liquid aluminum from real-time quantum simulations X Andrade, S Hamel, AA Correa The European Physical Journal B 91 (10), 1-7, 2018	31	2018

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