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Guillermo Román-Pérez
Guillermo Román-Pérez
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Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes
G Román-Pérez, JM Soler
Physical review letters 103 (9), 096102, 2009
15092009
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), 024516, 2011
2892011
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 122 (41), 7663-7665, 2010
1752010
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
1012009
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
942010
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
362011
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
102009
Hollow C 3 N 4 nanoclusters from first principles
G Román-Pérez, F Zamora, JM Soler
Physical Review B 82 (19), 195405, 2010
92010
Simulación mecano-cuántica en materiales complejos y nanoestructuras
G Román Pérez
2011
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
2010
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
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Artículos 1–13