Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes G Román-Pérez, JM Soler arXiv preprint arXiv:0812.0244, 2008 | 1685 | 2008 |
Density, structure, and dynamics of water: The effect of van der Waals interactions J Wang, G Román-Pérez, JM Soler, E Artacho, MV Fernández-Serra The Journal of chemical physics 134 (2), 2011 | 311 | 2011 |
Flexibility in a metal–organic framework material controlled by weak dispersion forces: the bistability of MIL‐53 (Al) AM Walker, B Civalleri, B Slater, C Mellot‐Draznieks, F Corà, ... Angewandte Chemie International Edition 49 (41), 7501-7503, 2010 | 190 | 2010 |
Energetics and Dynamics of Adsorbed in a Nanoporous Material at Low Temperature L Kong, G Román-Pérez, JM Soler, DC Langreth Physical review letters 103 (9), 096103, 2009 | 107 | 2009 |
Stability, adsorption, and diffusion of CH 4, CO 2, and H 2 in clathrate hydrates G Román-Pérez, M Moaied, JM Soler, F Yndurain Physical review letters 105 (14), 145901, 2010 | 101 | 2010 |
Ab initio energetics and kinetics study of H 2 and CH 4 in the SI clathrate hydrate Q Li, B Kolb, G Román-Pérez, JM Soler, F Yndurain, L Kong, DC Langreth, ... Physical Review B 84 (15), 153103, 2011 | 39 | 2011 |
Azafullerene-like nanosized clusters V Lopez, GR Pérez, A Arregui, E Mateo-Marti, L Banares, JA Martín-Gago, ... Acs Nano 3 (11), 3352-3357, 2009 | 13 | 2009 |
Hollow C 3 N 4 nanoclusters from first principles G Román-Pérez, F Zamora, JM Soler Physical Review B 82 (19), 195405, 2010 | 9 | 2010 |
Density Functional Theory study of the equilibrium density of water at normal conditions J Wang, G Roman-Perez, JM Soler, E Artacho, M Fernandez-Serra APS March Meeting Abstracts 2010, H27. 004, 2010 | 1 | 2010 |
Simulación mecano-cuántica en materiales complejos y nanoestructuras G Román Pérez | | 2011 |
Efficient van der Waals density functional interactions JM Soler, G Roman-Perez APS March Meeting Abstracts, D37. 005, 2009 | | 2009 |
Collaborators G Román-Pérez, JM Soler, F Corsetti | | |
Van der Waals interactions in density functional theory: an efficient implementation for large systems G Román-Pérez, F Yndurain, JM Soler Volume III, 0 | | |