Publications: Scientific computing
Years
These papers are ordered by article relevance.
- Insight into the surface hopping approach from a wave packet limit
- José María Escartín, Pina Romaniello, Lorenzo Stella, Paul-Gerhard Reinhard, Eric Suraud
Journal of Chemical Physics 137, 234113 (2012) - 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) - Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
- U. De Giovannini, D. Varsano, M. A. L. Marques, H. Appel, E. K. U. Gross, A. Rubio
Physical Review A 85, 062515 (2012) - Wannier functions approach to van der Waals interactions in ABINIT
- Espejo, C., Rangel, T., Pouillon, Y., Romero, A.H., Gonze, X.
Computer Physics Communications 183, 480 - 485 (2012) - The ETSF: An e-Infrastructure That Bridges Simulations and Experiments
- Matsuura, Anne, Thrupp, Nicola, Gonze, Xavier, Pouillon, Yann, Bruant, Gaelle, Onida, Giovanni
Computing In Science and Engineering 14, 22 - 32 (2012)