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"Coarse Graining of TIP4P/2005, TIP4P-Ew, SPC/E and TIP3P to Monatomic Anisotropic Water models Using Relative Entropy Minimization" J. Lu, Y. Qiu, R. Baron and V. Molinero ,J. Chem. Theo. and Comp. (2014) (2014) DOI: 10.1021/ct500487h
"Sorption Isotherms of Water in Nanopores: The Relation Between Hydropohobicity, Adsorption Pressure, and Hysteresis" M. H. Factorovich, E. Gonzalez Solveyra, V. Molinero, and D. A. Scherlis J. Phys. Chem. C 118 (2014), 16290-16300
"Ice Crystallization in Ultrafine Water-Salt Aerosols: Nucleation, Ice-Solution Equilibrium and Internal Structure" A. Hudait and V. Molinero, J. Am. Chem. Soc. 136 (2014) 8081-8093
"How Short is Too Short for the Interactions of a Water Potential? Exploring the Parameter Space of a Coarse-Grained Water Model using Uncertainty Quantification"L. C. Jacobson, R. M. Kirby and V. Molinero, J. Phys. Chem. B, 118 (2014) 8190-8202 [invited]
"Competing Pair and Triplet Correlations in the transition from simple to tetrahedral liquids" M. Singh, D. Dhabas, A. H. Nguyen, V. Molinero, C. Chakravarty, Phys. Rev. Lett. 112, (2014) 147801
"Vapor pressure of water nanodroplets" M. H. Factorovich, V. Molinero, and D. A. Scherlis, J. Am. Chem. Soc.,136 (2014) 4508-4514
??Cross-nucleation between clathrate polymorphs: assessing the role of stability, growth rate and structure matching?? A. H. Nguyen and V. Molinero, J. Chem. Phys., 140 (2014), 084506
??Does hydrophilicity of carbon particles improve their ice nucleation ability??? L. Lupi and V. Molinero, J. Phys. Chem A, (2014) DOI: 10.1021/jp4118375 [invited]
??Heterogeneous Nucleation of Ice on Carbon Surfaces?? L. Lupi, A. Hudait and V. Molinero, J. Am. Chem. Soc, 136 (2014), 3156-3164
??A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems?? M. Factorovich, V. Molinero, and D. A. Scherlis, J. Chem. Phys. 140 (2014), 064111
??Assessing the effects of crowding, pore size and interactions on electro-osmotic drag coefficients?? L. C. Jacobson, X. Ren and V. Molinero, J. Phys. Chem. C 118 (2014), 2093?C2103
"liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions?? G. Bullock and V. Molinero, Faraday "scussions, 167 (2013), 371 - 388
??Thermodynamic and structural signatures of water-driven methane-methane attraction in coarse-grained mW water??, B. Song and V. Molinero, J. Chem. Phys., 139 (2013), 054511.
??Stability and metastability of bromine clathrate polymorphs?? , A. H. Nguyen and V. Molinero, J. Phys. Chem. B, 117 (2013), 6330-6338.
??Nature of the anomalies in the supercooled liquid state of the mW model of water??, V. Holten, D. T. Limmer, V. Molinero and M. A. Anisimov, J. Chem. Phys., 138 (2013), 174501.
??Structure, dynamics and phase behavior of water in TiO2 nanopores??, E. Gonzalez Solveyra, E. de la Llave, V. Molinero, G. Soler-Illia, D. A. Scherlis, J. Phys. Chem. C, 117 (2013), 3330?C3342.
??Homogeneous nucleation of methane hydrates: unrealistic at realistic conditions??, B. C. Knott, V. Molinero, M. F. Doherty and B. Peters, J. Am. Chem. Soc., 134 (2012), 19544?C19547.
"the clathrate/solution interface and mechanisms of cross-nucleation of clathrate hydrates??, A. H. Nguyen, L. C. Jacobson and V. Molinero, J. Phys. Chem. C, 116 (2012), 19828?C19838.
"e quasi-liquid layer of ice under conditions of methane clathrate formation??, T. D. Shepherd, M. A. Koc and V. Molinero, J. Phys. Chem. C, 116 (2012), 12172?C12180.
??Water-Driven Cavity-Ligand Binding: Comparison of Thermodynamic Signatures from Coarse-Grained and Atomic-Level Simulations??, and V. Molinero, J. Chem. Theory and Comp. 8 (2012), 3696?C3704 [invited].
??Liquid-ice coexistence below the melting temperature for water confined in hydrophilic and hydrophobic nanopores??, E. B. Moore, J. T. Allen and V. Molinero, J. Chem. Phys. C., 116 (2012), 7507-7514.
"lization, Melting and Structure of Water Nanodroplets at Atmospherically Relevant Temperatures??, J. C. Johnston and V. Molinero, J. Am. Chem. Soc. 134 (2012), 6650-6659.
??Water and Other Tetrahedral Liquids: Order, Anomalies and Solvation?? B. S. Jabes, D. Nayar, D. Dhabal, V. Molinero and C. Chakravarty, J. Phys. Cond. Matt., 24 (2012) 284116.
??Role of Confinement and Surface Affinity on Filling Mechanisms and Sorption Hysteresis in Nanopores?? , E. de la Llave, V. Molinero and D. A. Scherlis, J. Phys. Chem. C., 116 (2012) 1833?C1840
??Structural Transformation in Supercooled Water Controls the Crystallization Rate of Ice?? E. B. Moore and V. Molinero*, Nature, 479 (2011), 506-508.
??Is it cubic? Ice crystallization from deeply supercooled water?? , E. B. Moore and V. Molinero*, Phys. Chem. Chem. Phys. 13 (2011), 20008-20016.
??Is there a liquid-liquid transition in confined water??? , " Molinero*, J. Phys. Chem. B (2011), published online; DOI: 10.1021/jp205045k.
??Melting and crystallization of ice in partially filled nanopores?? , E. Gonzalez Solveyra, E. de la Llave, D. A. Scherlis and V. Molinero*, J. Phys. Chem. B. (2011), published online; DOI: 10.1021/jp205008w.
??The Rise and Fall of Anomalies in Tetrahedral Liquids??, W. Hujo, B. S. Jabes, V. K. Rana, C. Chakravarty* and V. Molinero*, J. Stat. Phys. 145 (2011) 293-312.
??Order parameters for the multistep crystallization of clathrate hydrates?? , L. C. Jacobson, M. Matsumoto and V. Molinero*, J. Chem. Phys. 135 (2011), 074501.
??Can Amorphous Nuclei Grow Crystalline Clathrates? The Size and Crystallinity of Critical Clathrate Nuclei?? , J. C. Jacobson and V. Molinero*, JACS (2011), 133, 6458-6463.
??A Single-Component Silicon Quasicrystal??, Jessica C. Johnston, Spencer Phippen and V. Molinero*, J. Phys. Chem. Lett. (2011), 2, 384-388.
"Study of Low Concentration LiCl Aqueous Solutions in the Liquid, Supercooled and Hyperquenched Glassy State , K. Winkel, M. Seidl, T. Loerting, L. E. Bove, S. Imberti, V. Molinero, F. Bruni, R. Mancinelli and M. A. Ricci*, J. Chem. Phys, (2011), 134, 024515.
Nanophase Segregation in Supercooled Aqueous Solutions and their Glasses Driven by the Polyamorphism of Water Ly Le and V. Molinero*, J. Phys. Chem. A., published December 2010 ASAP at http://pubs.acs.org/doi/pdf/10.1021/jp1102065 [invited]
A Coarse-Grained Model of DNA with Explicit Solvation by Water and Ions , R. C. DeMille, T.E. Cheatham III and V. Molinero*, J. Phys. Chem. B., 115 (2011), 132-142.
Liquid to quasicrystal transition in bilayer water , J. C. Johnston, N. Kastelowitz and V. Molinero*, J. Chem. Phys., 133 (2010), 154516.
Nucleation Pathways of Clathrate Hydrates: Effect of Guest Size and Solubility , L. C. Jacobson, W. Hujo and V. Molinero*, J. Phys. Chem. B., 114 (2010), 1379613807.
Amorphous Precursors in the Nucleation of Clathrate Hydrates , L. C. Jacobson, W. Hujo and V. Molinero*, JACS, 132 (2010), 1180611811.
Water filling of hydrophilic nanopores?? , E. de la Llave, V. Molinero* and D. A. Scherlis*, J. Chem. Phys., 133 (2010), 034513.
??Ice crystallization in water??s ??no-man??s land??, E. B. Moore and V. Molinero*, J. Chem Phys., 132 (2010), 244504.
??A Methane-Water Model for Coarse-Grained Simulations of Solutions and Clathrate Hydrates?? , L. Jacobson and V. Molinero*, J. Phys. Chem. B, 114 (2010), 7302-7311.
??Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: thermodynamics and kinetics?? , L. Xu and V. Molinero*, J. Phys. Chem. B, 114 (2010), 7320-7328.
??The Anomalously High Melting Temperature of Bilayer Ice?? , N. Kastelowitz, Jessica C. Johnston and V. Molinero*, J. Che"(2010), 124511.
??Freezing, Melting and Structure of Ice in a Hydrophilic Nanopore?? , E.B. Moore, E. de la Llave, K. Welke, D. A. Scherlis and V. Molinero*, Phys. Chem. Chem. Phys. 12 (2010), 4124-4134.
??Coarse-grained Ions Without Charges: Reproducing the Solvation Structure of NaCl in water using Short-Ranged Potentials?? , R. DeMille and V. Molinero*, J. Chem. Phys. 131, (2009), 034107.
??Thermodynamic Stability And Growth Of Guest-Free Clat
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