| Year |
Citation |
Score |
| 2020 |
Tancogne-Dejean N, Oliveira MJT, Andrade X, Appel H, Borca CH, Le Breton G, Buchholz F, Castro A, Corni S, Correa AA, De Giovannini U, Delgado A, Eich FG, Flick J, Gil G, et al. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics. 152: 124119. PMID 32241132 DOI: 10.1063/1.5142502 |
0.526 |
|
| 2020 |
Quashie EE, Ullah R, Andrade X, Correa AA. Effect of chemical disorder on the electronic stopping of solid solution alloys Acta Materialia. 196: 576-583. DOI: 10.1016/J.Actamat.2020.06.061 |
0.329 |
|
| 2018 |
Andrade X, Hamel S, Correa AA. Negative differential conductivity in liquid aluminum from real-time quantum simulations The European Physical Journal B. 91. DOI: 10.1140/Epjb/E2018-90291-5 |
0.353 |
|
| 2017 |
Quashie EE, Saha BC, Andrade X, Correa AA. Self-interaction effects on charge-transfer collisions Physical Review A. 95. DOI: 10.1103/Physreva.95.042517 |
0.317 |
|
| 2017 |
Draeger EW, Andrade X, Gunnels JA, Bhatele A, Schleife A, Correa AA. Massively parallel first-principles simulation of electron dynamics in materials Journal of Parallel and Distributed Computing. 106: 205-214. DOI: 10.1016/J.Jpdc.2017.02.005 |
0.394 |
|
| 2016 |
Markovich T, Blau SM, Parkhill J, Kreisbeck C, Sanders JN, Andrade X, Aspuru-Guzik A. Accelerating the computation of bath spectral densities with super-resolution Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1954-1 |
0.693 |
|
| 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 |
0.561 |
|
| 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 |
0.461 |
|
| 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 |
0.629 |
|
| 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 |
0.517 |
|
| 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 |
0.58 |
|
| 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 |
0.505 |
|
| 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 |
0.714 |
|
| 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 |
0.604 |
|
| 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 |
0.62 |
|
| 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 |
0.694 |
|
| 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 |
0.436 |
|
| 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 |
0.543 |
|
| 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 |
0.695 |
|
| 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 |
0.509 |
|
| 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 |
0.533 |
|
| 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 |
0.321 |
|
| 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 |
0.532 |
|
| 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 |
0.354 |
|
| 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 |
0.541 |
|
| 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 |
0.453 |
|
| 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 |
0.573 |
|
| 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 |
0.439 |
|
| 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 |
0.525 |
|
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