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 | 517 | 2009 |
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 | 194 | 2009 |
Solubility of NaCl in water by molecular simulation revisited JL Aragones, E Sanz, C Vega The Journal of chemical physics 136 (24), 2012 | 170 | 2012 |
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 | 154 | 2011 |
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), 2016 | 153 | 2016 |
Anomalies in bulk supercooled water at negative pressure G Pallares, M El Mekki Azouzi, MA González, JL Aragones, JLF Abascal, ... Proceedings of the National Academy of Sciences 111 (22), 7936-7941, 2014 | 139 | 2014 |
Plastic crystal phases of simple water models JL Aragones, C Vega The Journal of chemical physics 130 (24), 2009 | 99 | 2009 |
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 | 93 | 2009 |
Phase diagram of water under an applied electric field JL Aragones, LG MacDowell, JI Siepmann, C Vega Physical review letters 107 (15), 155702, 2011 | 67 | 2011 |
Free energy calculations for molecular solids using GROMACS JL Aragones, EG Noya, C Valeriani, C Vega The Journal of chemical physics 139 (3), 2013 | 64 | 2013 |
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), 2012 | 59 | 2012 |
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 | 56 | 2007 |
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), 2012 | 50 | 2012 |
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), 2007 | 48 | 2007 |
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 | 47 | 2014 |
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 | 46 | 2012 |
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), 2013 | 45 | 2013 |
Elasticity-induced force reversal between active spinning particles in dense passive media JL Aragones, JP Steimel, A Alexander-Katz Nature communications 7 (1), 11325, 2016 | 39 | 2016 |
Single-step assembly of asymmetric vesicles LR Arriaga, Y Huang, SH Kim, JL Aragones, R Ziblat, SA Koehler, ... Lab on a Chip 19 (5), 749-756, 2019 | 36 | 2019 |
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 | 33 | 2016 |