Publications: HPC-Europa

Years

These papers are ordered by article influence.

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)
Gold and Methane: A Noble Combination for Delicate Oxidation
Duncan J. Mowbray, Annapaola Migani, Guido Walther, David M. Cardamone, Angel Rubio
Journal Of Physical Chemistry Letters 4, 3006 - 3012 (2013)
Characterization of TiO2 Atomic Crystals for Nanocomposite Materials Oriented to Optoelectronics
L. Chiodo, A. Massaro, S. Laricchia, F. Della Sala, R. Cingolani, M. Salazar, A. H. Romero, A. Rubio
Optical And Quantum Electronics 44, 291 - 296 (2012)
Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces
D. J. Mowbray, J. I. Martínez, F. Calle-Vallejo, J. Rossmeisl, K. S. Thygesen, K. W. Jacobsen, J. K. Nørskov
Journal Of Physical Chemistry C 115, 2244 - 2252 (2011)
Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)
N.H. March, A. Rubio
Journal Of Nanomaterials 2011, 932350 (2011)
Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
A. Sakko, A. Rubio , M. Hakala , K. Hämäläinen
Journal of Chemical Physics 133, 174111 (2010)
Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, A. Rubio
Journal of Chemical Physics 131, 214302 (2009)
Ab-initio band structure of doped graphene
C. Attaccalite, A. Grüeneis, T. Pichler, A. Rubio
Journal of Computational and Theoretical Nanoscience (2009)