Juan Luis Aragonés
Juan Luis Aragonés
Verifierad e-postadress på mit.edu
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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
4032009
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
1422009
Solubility of NaCl in water by molecular simulation revisited
JL Aragones, E Sanz, C Vega
The Journal of chemical physics 136 (24), 244508, 2012
1242012
Dielectric constant of ices and water: a lesson about water interactions
JL Aragones, LG MacDowell, C Vega
The Journal of Physical Chemistry A 115 (23), 5745-5758, 2011
1162011
Anomalies in bulk supercooled water at negative pressure
G Pallares, MEM Azouzi, MA González, JL Aragones, JLF Abascal, ...
Proceedings of the National Academy of Sciences 111 (22), 7936-7941, 2014
892014
Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route
AL Benavides, JL Aragones, C Vega
The Journal of chemical physics 144 (12), 124504, 2016
782016
Plastic crystal phases of simple water models
JL Aragones, C Vega
The Journal of chemical physics 130 (24), 244504, 2009
722009
The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase
JL Aragones, MM Conde, EG Noya, C Vega
Physical Chemistry Chemical Physics 11 (3), 543-555, 2009
702009
Phase diagram of water under an applied electric field
JL Aragones, LG MacDowell, JI Siepmann, C Vega
Physical review letters 107 (15), 155702, 2011
462011
Equation of state, thermal expansion coefficient, and isothermal compressibility for ices Ih, II, III, V, and VI, as obtained from computer simulation
EG Noya, C Menduina, JL Aragones, C Vega
The Journal of Physical Chemistry C 111 (43), 15877-15888, 2007
442007
Properties of ices at 0 K: A test of water models
JL Aragones, EG Noya, JLF Abascal, C Vega
The Journal of chemical physics 127 (15), 154518, 2007
432007
Calculation of the melting point of alkali halides by means of computer simulations
JL Aragones, E Sanz, C Valeriani, C Vega
The Journal of chemical physics 137 (10), 104507, 2012
422012
Computer simulation study of the structure of LiCl aqueous solutions: test of non-standard mixing rules in the ion interaction
JL Aragones, M Rovere, C Vega, P Gallo
The Journal of Physical Chemistry B 118 (28), 7680-7691, 2014
392014
Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS
JL Aragones, C Valeriani, C Vega
The Journal of chemical physics 137 (14), 146101, 2012
392012
Free energy calculations for molecular solids using GROMACS
JL Aragones, EG Noya, C Valeriani, C Vega
The Journal of chemical physics 139 (3), 034104, 2013
372013
The phase diagram of water from quantum simulations
C McBride, EG Noya, JL Aragones, MM Conde, C Vega
Physical Chemistry Chemical Physics 14 (29), 10140-10146, 2012
322012
Elasticity-induced force reversal between active spinning particles in dense passive media
JL Aragones, JP Steimel, A Alexander-Katz
Nature communications 7 (1), 1-9, 2016
312016
Homogeneous bubble nucleation in water at negative pressure: A Voronoi polyhedra analysis
JLF Abascal, MA Gonzalez, JL Aragones, C Valeriani
The Journal of chemical physics 138 (8), 084508, 2013
252013
Emergent ultra–long-range interactions between active particles in hybrid active–inactive systems
JP Steimel, JL Aragones, H Hu, N Qureshi, A Alexander-Katz
Proceedings of the National Academy of Sciences 113 (17), 4652-4657, 2016
212016
Detecting vapour bubbles in simulations of metastable water
MA González, G Menzl, JL Aragones, P Geiger, F Caupin, JLF Abascal, ...
The Journal of chemical physics 141 (18), 18C511, 2014
192014
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Artiklar 1–20