Xavier Andrade - Publications

Affiliations: 
Harvard University, Cambridge, MA, United States 
Area:
Electronic structure

31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Sanders JN, Andrade X, Aspuru-Guzik A. Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations. Acs Central Science. 1: 24-32. PMID 27162943 DOI: 10.1021/oc5000404  1
2015 Jornet-Somoza J, Alberdi-Rodriguez J, Milne BF, Andrade X, Marques MA, Nogueira F, Oliveira MJ, Stewart JJ, Rubio A. Insights into colour-tuning of chlorophyll optical response in green plants. Physical Chemistry Chemical Physics : Pccp. 17: 26599-606. PMID 26250099 DOI: 10.1039/c5cp03392f  1
2015 Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, et al. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems. Physical Chemistry Chemical Physics : Pccp. PMID 25721500 DOI: 10.1039/c5cp00351b  1
2014 García-Risueño P, Alberdi-Rodriguez J, Oliveira MJT, Andrade X, Pippig M, Muguerza J, Arruabarrena A, Rubio A. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations Journal of Computational Chemistry. 35: 427-444. PMID 24249048 DOI: 10.1002/jcc.23487  1
2013 Andrade X, Aspuru-Guzik A. Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods. Journal of Chemical Theory and Computation. 9: 4360-73. PMID 26589153 DOI: 10.1021/ct400520e  1
2013 Andrade X, Aspuru-Guzik A. Real-space density functional theory on graphical processing units: Computational approach and comparison to Gaussian basis set methods Journal of Chemical Theory and Computation. 9: 4360-4373. DOI: 10.1021/ct400520e  1
2012 Sanders JN, Saikin SK, Mostame S, Andrade X, Widom JR, Marcus AH, Aspuru-Guzik A. Compressed Sensing for Multidimensional Spectroscopy Experiments. The Journal of Physical Chemistry Letters. 3: 2697-702. PMID 26295894 DOI: 10.1021/jz300988p  1
2012 Andrade X, Sanders JN, Aspuru-Guzik A. Application of compressed sensing to the simulation of atomic systems. Proceedings of the National Academy of Sciences of the United States of America. 109: 13928-33. PMID 22891294 DOI: 10.1073/pnas.1209890109  1
2012 Andrade X, Alberdi-Rodriguez J, Strubbe DA, Oliveira MJ, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie SG, Aspuru-Guzik A, Rubio A, Marques MA. Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 233202. PMID 22562950 DOI: 10.1088/0953-8984/24/23/233202  1
2012 Sanders JN, Saikin SK, Mostame S, Andrade X, Widom JR, Marcus AH, Aspuru-Guzik A. Compressed sensing for multidimensional spectroscopy experiments Journal of Physical Chemistry Letters. 3: 2697-2702. DOI: 10.1021/jz300988p  1
2012 Aggarwal RL, Farrar LW, Saikin SK, Andrade X, Aspuru-Guzik A, Polla DL. Measurement of the absolute Raman cross section of the optical phonons in type Ia natural diamond Solid State Communications. 152: 204-209. DOI: 10.1016/j.ssc.2011.11.005  1
2011 Andrade X, Aspuru-Guzik A. Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential. Physical Review Letters. 107: 183002. PMID 22107628 DOI: 10.1103/PhysRevLett.107.183002  1
2011 Olivares-Amaya R, Stopa M, Andrade X, Watson MA, Aspuru-Guzik A. Anion stabilization in electrostatic environments Journal of Physical Chemistry Letters. 2: 682-688. DOI: 10.1021/jz200120w  1
2010 Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ. Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids. The Journal of Chemical Physics. 133: 034111. PMID 20649312 DOI: 10.1063/1.3457362  1
2009 Andrade X, Castro A, Zueco D, Alonso JL, Echenique P, Falceto F, Rubio Á. Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics. Journal of Chemical Theory and Computation. 5: 728-742. PMID 26609578 DOI: 10.1021/ct800518j  0.44
2009 Botti S, Castro A, Lathiotakis NN, Andrade X, Marques MA. Optical and magnetic properties of boron fullerenes. Physical Chemistry Chemical Physics : Pccp. 11: 4523-7. PMID 19475170 DOI: 10.1039/b902278c  0.68
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MA, di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT. Physical Chemistry Chemical Physics : Pccp. 11: 4481-9. PMID 19475166 DOI: 10.1039/b903200b  0.84
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MAL, Di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT Physical Chemistry Chemical Physics. 11: 4481-4489. DOI: 10.1039/b903200b  1
2009 Botti S, Castro A, Lathiotakis NN, Andrade X, Marques MAL. Optical and magnetic properties of boron fullerenes Physical Chemistry Chemical Physics. 11: 4523-4527. DOI: 10.1039/b902278c  1
2009 Andrade X, Castro A, Zueco D, Alonso JL, Echenique P, Falceto F, Rubio A. Modified ehrenfest formalism for efficient large-scale ab initio molecular dynamics Journal of Chemical Theory and Computation. 5: 728-742. DOI: 10.1021/ct800518j  1
2008 Alonso JL, Andrade X, Echenique P, Falceto F, Prada-Gracia D, Rubio A. Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory. Physical Review Letters. 101: 096403. PMID 18851630 DOI: 10.1103/PhysRevLett.101.096403  0.84
2008 Alonso JL, Andrade X, Echenique P, Falceto F, Prada-Gracia D, Rubio A. Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory Physical Review Letters. 101. DOI: 10.1103/PhysRevLett.101.096403  1
2008 Botti S, Castro A, Andrade X, Rubio A, Marques MAL. Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.035333  1
2008 Rogan J, García G, Ramírez M, M?oz V, Alejandro Valdivia J, Andrade X, Ramírez R, Kiwi M. The structure and properties of small Pd clusters Nanotechnology. 19. DOI: 10.1088/0957-4484/19/20/205701  1
2008 Rogan J, García G, Ramírez M, M?oz V, Alejandro Valdivia J, Andrade X, Ramírez R, Kiwi M. The structure and properties of small Pd clusters Nanotechnology. 19. DOI: 10.1088/0957-4484/19/20/205701  1
2007 Andrade X, Botti S, Marques MA, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities. The Journal of Chemical Physics. 126: 184106. PMID 17508791 DOI: 10.1063/1.2733666  0.84
2007 Andrade X, Botti S, Marques MAL, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Journal of Chemical Physics. 126. DOI: 10.1063/1.2733666  1
2007 Andrade X, Botti S, Marques MAL, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Journal of Chemical Physics. 126. DOI: 10.1063/1.2733666  0.84
2006 Aguilera-Granja F, Vega A, Rogan J, Andrade X, García G. 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 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.224405  1
2006 Castro A, Appel H, Oliveira M, Rozzi CA, Andrade X, Lorenzen F, Marques MAL, Gross EKU, Rubio A. Octopus: A tool for the application of time-dependent density functional theory Physica Status Solidi (B) Basic Research. 243: 2465-2488. DOI: 10.1002/pssb.200642067  1
2006 Castro A, Appel H, Oliveira M, Rozzi CA, Andrade X, Lorenzen F, Marques MAL, Gross EKU, Rubio A. Octopus: A tool for the application of time-dependent density functional theory Physica Status Solidi (B) Basic Research. 243: 2465-2488. DOI: 10.1002/pssb.200642067  0.84
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