Publications: Scientific computing


These papers are ordered by article relevance.

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)
Application of a time-convolutionless stochastic Schrödinger equation to energy transport and thermal relaxation
Robert Biele, Carsten Timm, Roberto D'Agosta
Journal Of Physics-Condensed Matter 26, 395303 (2014)
Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture
Romero, N.A., Glinsvad, C., Larsen, A.H., Enkovaara, J., Shende, S., Morozov, V.A., Mortensen, J.J.
Concurrency and Computation-Practice and Experience 27, 69 - 93 (2014)
Recent Memory and Performance Improvements in Octopus Code
Alberdi-Rodriguez, Joseba, Oliveira, Micael JT, García-Risueño, Pablo, Nogueira, Fernando, Muguerza, Javier, Arruabarrena, Agustin, Rubio, Angel
Computational Science and Its Applications-ICCSA 2014 Vol. 8582, p. 607 - 622 (2014)