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Andrade, Xavier
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ResearcherID: C-2114-2009
URL: http://www.researcherid.com/rid/C-2114-2009
Subject: Chemistry; Physics
ORCID: http://orcid.org/0000-0002-0416-637X
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Department of Chemistry and Chemical Biology
Role:
Past Institutions: Universidad de Chile; Universidad de Chile; Universidad del País Vasco UPV/EHU; Ecole Polytechnique
My URLs: http://xavierandrade.org
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: octopus: a tool for the application of time-dependent density functional theory
 Author(s): CASTRO, A; APPEL, H; OLIVEIRA, M; et al.
 Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS Volume: 243 Issue: 11 Pages: 2465-2488 Published: SEP 2006
 Times Cited: 434
 DOI: 10.1002/pssb.200642067
added
10-Aug-09
2.  Title: Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project
 Author(s): Andrade, X.; Alberdi-Rodriguez, J.; Strubbe, D. A.; et al.
 Source: Journal of Physics-Condensed Matter Volume: 24 Issue: 23 Pages: 11 Published: 2012
 Times Cited: 100
 DOI: 10.1088/0953-8984/24/23/233202
added
18-Jul-12
3.  Title: Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
 Author(s): ANDRADE, X; BOTTI, S; MARQUES, MAL; et al.
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 126 Issue: 18 Published: MAY 14 2007
 Times Cited: 57
 DOI: 10.1063/1.2733666
added
10-Aug-09
4.  Title: Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics
 Author(s): ANDRADE, X; CASTRO, A; ZUECO, D; et al.
 Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 4 Pages: 728-742 Published: 2009
 Times Cited: 49
 DOI: 10.1021/ct800518j
added
10-Aug-09
5.  Title: Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory
 Author(s): ALONSO, JL; ANDRADE, X; ECHENIQUE, P; et al.
 Source: PHYSICAL REVIEW LETTERS Volume: 101 Issue: 9 Published: 2008
 Times Cited: 49
 DOI: 10.1103/PhysRevLett.101.096403
added
10-Aug-09
6.  Title: Optical and magnetic properties of boron fullerenes
 Author(s): BOTTI, S; CASTRO, A; LATHIOTAKIS, NN; et al.
 Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 22 Pages: 4523-4527 Published: 2009
 Times Cited: 39
 DOI: 10.1039/b902278c
added
10-Aug-09
7.  Title: Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential
 Author(s): Andrade, X.; Aspuru-Guzik, A.
 Source: Physical Review Letters Volume: 107 Issue: 18 Pages: 5 Published: 2011
 Times Cited: 39
 DOI: 183002 10.1103/PhysRevLett.107.183002
added
01-Dec-11
8.  Title: 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 metallic behavior
 Author(s): AGUILERA-GRANJA, F; VEGA, A; ROGAN, J; et al.
 Source: PHYSICAL REVIEW B Volume: 74 Issue: 22 Published: DEC 2006
 Times Cited: 37
 DOI: 10.1103/PhysRevB.74.224405
added
10-Aug-09
9.  Title: Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
 Author(s): Vila, FD; Strubbe, DA; Takimoto, Y; et al.
 Source: Journal of Chemical Physics Volume: 133 Issue: 3 Published: 2010
 Times Cited: 28
 DOI: 10.1063/1.3457362
added
31-Aug-10
10.  Title: Towards a gauge invariant method for molecular chiroptical properties in TDDFT
 Author(s): VARSANO, D; ESPINOSA-LEAL, LA; ANDRADE, X; et al.
 Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 22 Pages: 4481-4489 Published: 2009
 Times Cited: 24
 DOI: 10.1039/b903200b
added
10-Aug-09
publication(s)  
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