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Jose Luis F. Abascal
Jose Luis F. Abascal
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A general purpose model for the condensed phases of water: TIP4P/2005
JLF Abascal, C Vega
The Journal of chemical physics 123 (23), 2005
37582005
A potential model for the study of ices and amorphous water: TIP4P/Ice
JLF Abascal, E Sanz, R García Fernández, C Vega
The Journal of chemical physics 122 (23), 2005
13342005
Simulating water with rigid non-polarizable models: a general perspective
C Vega, JLF Abascal
Physical Chemistry Chemical Physics 13 (44), 19663-19688, 2011
9572011
What ice can teach us about water interactions: a critical comparison of the performance of different water models
C Vega, JLF Abascal, MM Conde, JL Aragones
Faraday discussions 141, 251-276, 2009
5032009
The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface
R García Fernández, JLF Abascal, C Vega
The Journal of chemical physics 124 (14), 2006
4792006
The melting temperature of the most common models of water
C Vega, E Sanz, JLF Abascal
The Journal of chemical physics 122 (11), 2005
4212005
Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins
C Vega, E Sanz, JLF Abascal, EG Noya
Journal of Physics: Condensed Matter 20 (15), 153101, 2008
3612008
The shear viscosity of rigid water models
MA González, JLF Abascal
The Journal of chemical physics 132 (9), 2010
3602010
Widom line and the liquid–liquid critical point for the TIP4P/2005 water model
JLF Abascal, C Vega
The Journal of Chemical Physics 133 (23), 2010
3502010
Phase diagram of water from computer simulation
E Sanz, C Vega, JLF Abascal, LG MacDowell
Physical review letters 92 (25), 255701, 2004
3382004
Homogeneous ice nucleation at moderate supercooling from molecular simulation
E Sanz, C Vega, JR Espinosa, R Caballero-Bernal, JLF Abascal, ...
Journal of the American Chemical Society 135 (40), 15008-15017, 2013
3232013
Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice
C Vega, JLF Abascal, I Nezbeda
The Journal of chemical physics 125 (3), 2006
2852006
A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO42− in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
IM Zeron, JLF Abascal, C Vega
The Journal of chemical physics 151 (13), 2019
2142019
A flexible model for water based on TIP4P/2005
MA González, JLF Abascal
The Journal of chemical physics 135 (22), 2011
2132011
Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
HL Pi, JL Aragones, C Vega, EG Noya, JLF Abascal, MA Gonzalez, ...
Molecular Physics 107 (4-6), 365-374, 2009
1872009
Relation between the melting temperature and the temperature of maximum density for the most common models of water
C Vega, JLF Abascal
The Journal of chemical physics 123 (14), 2005
1562005
The Voronoi polyhedra as tools for structure determination in simple disordered systems
JCG Montoro, JLF Abascal
The Journal of Physical Chemistry 97 (16), 4211-4215, 1993
1421993
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices I h, I c, II, III, IV, V, VI, VII, VIII, IX, XI and XII
C Vega, C McBride, E Sanz, JLF Abascal
Physical Chemistry Chemical Physics 7 (7), 1450-1456, 2005
1392005
Molecular mechanism for cavitation in water under tension
G Menzl, MA Gonzalez, P Geiger, F Caupin, JLF Abascal, C Valeriani, ...
Proceedings of the National Academy of Sciences 113 (48), 13582-13587, 2016
1382016
Can simple models describe the phase diagram of water?
C Vega, JLF Abascal, E Sanz, LG MacDowell, C McBride
Journal of Physics: Condensed Matter 17 (45), S3283, 2005
1372005
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