Dr. Xavier Andrade - Publications

Years

These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Insights into colour-tuning of chlorophyll optical response in green plants
Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, Miguel A. L. Marques, Fernando Nogueira, Micael J. T. Oliveira, James J. P. Stewart, Angel Rubio
Physical Chemistry Chemical Physics 17, 26599 - 26606 (2015)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)
A survey of the parallel performance and the accuracy of Poisson solvers for electronic structure calculations
Pablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J. T. Oliveira, Xavier Andrade, Michael Pippig, Javier Muguerza, Agustin Arruabarrena, Angel Rubio
Journal Of Computational Chemistry 35, 427 - 444 (2014)
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
X. Andrade, J. Alberdi-Rodriguez,, D. A Strubbe, M.J T Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G Louie, A. Aspuru-Guzik, A. Rubio, M.A.L. Marques
Journal Of Physics-Condensed Matter 24, 233202 (2012)
Anion Stabilization in Electrostatic Environments
Roberto Olivares-Amaya, Michael Stopa, Xavier Andrade, Mark A. Watson, Alan Aspuru-Guzik
Journal Of Physical Chemistry Letters 2, 682 - 688 (2011)
Improving Octopus Towards the new Generation of HPC Systems
Joseba Alberdi-Rodriguez, Xavier Andrade, Agustin Arruabarrena, Javier Muguerza, Angel Rubio
Jülich Blue Gene/P Extreme Scaling Workshop 2011, Ed. Mohr, Bernd; Frings, Wolfgang , JÜLICH SUPERCOMPUTING CENTRE p. 1 - 33 (2011)
Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, J.J. Rehr
Journal of Chemical Physics 133, 034111 (2010)
Octopus: a versatile tool for real-time TDDFT simulations of thousands of atoms
Andrade, Xavier, Alberdi-Rodriguez, Joseba
Psi-K 2010, (2010)
A modified Ehrenfest formalism for efficient large scale ab-initio molecular dynamics
X. Andrade, A. Castro, D. Zueco, J.L. Alonso, P. Echenique, F. Falceto, A. Rubio
Journal Of Chemical Theory And Computation 5, 728 - 742 (2009)
Towards a gauge invariant method for molecular chiroptical properties in TDDFT
D. Varsano, L.A. Espinosa Leal, X. Andrade, M.A.L. Marques, R. di Felice, A. Rubio
Physical Chemistry Chemical Physics 11, 4481 - 4489 (2009)
Optical and magnetic properties of boron fullerenes
S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, M.A.L. Marques
Physical Chemistry Chemical Physics 11, 4523 - 4527 (2009)
Efficient Formalism for Large-Scale Ab Initio Molecular Dynamics based on Time-Dependent Density Functional Theory
J.L. Alonso, X. Andrade, P. Echenique, F. Falceto, D. Prada-Gracia, A. Rubio
Physical Review Letters 101, 96403 - 4 (2008)
Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of Van der Waals forces
S. Botti, A. Castro, X. Andrade, A. Rubio, M.A.L. Marques
Physical Review B 78, 35333 - 10 (2008)
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
X. Andrade, S. Botti, M.A.L. Marques, A. Rubio
Journal of Chemical Physics 126, 184106 - 8 (2007)
octopus: a tool for the application of time-dependent density functional theory
A. Castro, M.A.L. Marques, H. Appel, M. Oliveira, C.A. Rozzi, X. Andrade, F. Lorenzen, E.K.U Gross, A. Rubio
Physica Status Solidi B 243, 2465 - 2488 (2006)