| 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 | 726 | 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 | 549 | 2015 |
| 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 | 316 | 2012 |
| 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 | 308 | 2020 |
| 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 | 175 | 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 | 155 | 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 | 133 | 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 | 77 | 2012 |
| 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 | 69 | 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 | 68 | 2013 |
| 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 | 67 | 2016 |
| 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 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 |
| 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 |
| 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 | 61 | 2009 |
| 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 | 61 | 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 | 57 | 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 | 34 | 2013 |
| Measurement of the absolute Raman cross section of the optical phonons in type Ia natural diamond RL Aggarwal, LW Farrar, SK Saikin, X Andrade, A Aspuru-Guzik, DL Polla Solid State Communications 152 (3), 204-209, 2012 | 30 | 2012 |
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHH在 mpsd.mpg.de 的电子邮件经过验证
