Valeria Molinero - Publications

Affiliations: 
Chemistry University of Utah, Salt Lake City, UT 

87 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Perez Sirkin YA, Gadea ED, Scherlis DA, Molinero V. Mechanisms of Nucleation and Stationary States of Electrochemically Generated Nanobubbles. Journal of the American Chemical Society. PMID 31190533 DOI: 10.1021/jacs.9b04479  0.48
2019 David RO, Marcolli C, Fahrni J, Qiu Y, Perez Sirkin YA, Molinero V, Mahrt F, Brühwiler D, Lohmann U, Kanji ZA. Pore condensation and freezing is responsible for ice formation below water saturation for porous particles. Proceedings of the National Academy of Sciences of the United States of America. PMID 30948638 DOI: 10.1073/pnas.1813647116  0.48
2018 Dong D, Zhang W, Barnett A, Lu J, Van Duin ACT, Molinero V, Bedrov D. Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations. Polymers. 10. PMID 30961214 DOI: 10.3390/polym10111289  0.48
2017 Lu J, Miller C, Molinero V. Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptake. Physical Chemistry Chemical Physics : Pccp. PMID 28653074 DOI: 10.1039/c7cp02281f  0.48
2017 Perez Sirkin YA, Factorovich MH, Molinero V, Scherlis DA. Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion. The Journal of Physical Chemistry. A. PMID 28282149 DOI: 10.1021/acs.jpca.7b00642  0.48
2017 Lu J, Jacobson LC, Perez Sirkin YA, Molinero V. High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials. Journal of Chemical Theory and Computation. 13: 245-264. PMID 28068769 DOI: 10.1021/acs.jctc.6b00874  0.48
2016 Lu J, Chakravarty C, Molinero V. Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models. The Journal of Chemical Physics. 144: 234507. PMID 27334179 DOI: 10.1063/1.4953854  0.48
2016 Perez Sirkin YA, Factorovich MH, Molinero V, Scherlis DA. Vapor pressure of aqueous solutions of electrolytes reproduced with coarse-grained models without electrostatics. Journal of Chemical Theory and Computation. PMID 27196963 DOI: 10.1021/acs.jctc.6b00291  0.48
2016 Cisneros GA, Wikfeldt KT, Ojamäe L, Lu J, Xu Y, Torabifard H, Bartók AP, Csányi G, Molinero V, Paesani F. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions. Chemical Reviews. PMID 27186804 DOI: 10.1021/acs.chemrev.5b00644  0.48
2015 Dhabal D, Nguyen AH, Singh M, Khatua P, Molinero V, Bandyopadhyay S, Chakravarty C. Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids. The Journal of Chemical Physics. 143: 164512. PMID 26520532 DOI: 10.1063/1.4933420  0.36
2015 Bertolazzo AA, Kumar A, Chakravarty C, Molinero V. Water-like Anomalies and Phase Behavior of a Pair Potential that Stabilizes Diamond. The Journal of Physical Chemistry. B. PMID 26426477 DOI: 10.1021/acs.jpcb.5b08432  0.36
2015 Factorovich MH, Molinero V, Scherlis DA. Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces. Journal of the American Chemical Society. PMID 26241823 DOI: 10.1021/jacs.5b05242  0.36
2015 Qiu Y, Molinero V. Morphology of Liquid-Liquid Phase Separated Aerosols. Journal of the American Chemical Society. PMID 26230969 DOI: 10.1021/jacs.5b05579  0.36
2015 Malkin TL, Murray BJ, Salzmann CG, Molinero V, Pickering SJ, Whale TF. Stacking disorder in ice I. Physical Chemistry Chemical Physics : Pccp. 17: 60-76. PMID 25380218 DOI: 10.1039/c4cp02893g  0.36
2015 Nguyen AH, Koc MA, Shepherd TD, Molinero V. Structure of the ice-clathrate interface Journal of Physical Chemistry C. 119: 4104-4117. DOI: 10.1021/jp511749q  0.36
2015 Nguyen AH, Molinero V. Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: The CHILL+ Algorithm Journal of Physical Chemistry B. 119: 9369-9376. DOI: 10.1021/jp510289t  0.36
2014 Lu J, Qiu Y, Baron R, Molinero V. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization. Journal of Chemical Theory and Computation. 10: 4104-20. PMID 26588552 DOI: 10.1021/ct500487h  0.48
2014 Jacobson LC, Kirby RM, Molinero V. 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. The Journal of Physical Chemistry. B. 118: 8190-202. PMID 24605768 DOI: 10.1021/jp5012928  0.36
2014 Singh M, Dhabal D, Nguyen AH, Molinero V, Chakravarty C. Triplet correlations dominate the transition from simple to tetrahedral liquids Physical Review Letters. 112. DOI: 10.1103/PhysRevLett.112.147801  0.36
2014 Molinero V, Kay BD. Preface: Special topic on interfacial and confined water Journal of Chemical Physics. 141. DOI: 10.1063/1.4900822  0.36
2014 Lupi L, Kastelowitz N, Molinero V. Vapor deposition of water on graphitic surfaces: Formation of amorphous ice, bilayer ice, ice I, and liquid water Journal of Chemical Physics. 141. DOI: 10.1063/1.4895543  0.36
2014 Nguyen AH, Molinero V. Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching Journal of Chemical Physics. 140. DOI: 10.1063/1.4866143  0.36
2014 Factorovich MH, Molinero V, Scherlis DA. A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems Journal of Chemical Physics. 140. DOI: 10.1063/1.4865137  0.36
2014 Song B, Nguyen AH, Molinero V. Can guest occupancy in binary Clathrate hydrates be tuned through control of the growth temperature? Journal of Physical Chemistry C. 118: 23022-23031. DOI: 10.1021/jp504852k  0.36
2014 Factorovich MH, Gonzalez Solveyra E, Molinero V, Scherlis DA. Sorption isotherms of water in nanopores: Relationship between hydropohobicity, adsorption pressure, and hysteresis Journal of Physical Chemistry C. 118: 16290-16300. DOI: 10.1021/jp5000396  0.36
2014 Lupi L, Molinero V. Does hydrophilicity of carbon particles improve their ice nucleation ability? Journal of Physical Chemistry A. 118: 7330-7337. DOI: 10.1021/jp4118375  0.36
2014 Jacobson LC, Ren X, Molinero V. Assessing the effects of crowding, pore size, and interactions on electro-osmotic drag coefficients Journal of Physical Chemistry C. 118: 2093-2103. DOI: 10.1021/jp410910r  0.36
2014 Hudait A, Molinero V. Ice crystallization in ultrafine water-salt aerosols: Nucleation, ice-solution equilibrium, and internal structure Journal of the American Chemical Society. 136: 8081-8093. DOI: 10.1021/ja503311r  0.36
2014 Lupi L, Hudait A, Molinero V. Heterogeneous nucleation of ice on carbon surfaces Journal of the American Chemical Society. 136: 3156-3164. DOI: 10.1021/ja411507a  0.36
2014 Factorovich MH, Molinero V, Scherlis DA. Vapor pressure of water nanodroplets Journal of the American Chemical Society. 136: 4508-4514. DOI: 10.1021/ja405408n  0.36
2014 Lu J, Qiu Y, Baron R, Molinero V. Coarse-graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to monatomic anisotropic water models using relative entropy minimization Journal of Chemical Theory and Computation. 10: 4104-4120. DOI: 10.1021/ct500487h  0.36
2013 Bullock G, Molinero V. Low-density liquid water is the mother of ice: On the relation between mesostructure, thermodynamics and ice crystallization in solutions Faraday Discussions. 167: 371-388. PMID 24640501 DOI: 10.1039/c3fd00085k  0.36
2013 Song B, Molinero V. Thermodynamic and structural signatures of water-driven methane-methane attraction in coarse-grained mW water Journal of Chemical Physics. 139. PMID 23927274 DOI: 10.1063/1.4816005  0.36
2013 Holten V, Limmer DT, Molinero V, Anisimov MA. Nature of the anomalies in the supercooled liquid state of the mW model of water. The Journal of Chemical Physics. 138: 174501. PMID 23656138 DOI: 10.1063/1.4802992  0.36
2013 Molinero V. What determines the homogeneous freezing temperature of water? Aip Conference Proceedings. 1527: 83-88. DOI: 10.1063/1.4803209  0.36
2013 Nguyen AH, Molinero V. Stability and metastability of bromine clathrate polymorphs Journal of Physical Chemistry B. 117: 6330-6338. DOI: 10.1021/jp403503d  0.36
2013 Solveyra EG, De La Llave E, Molinero V, Soler-Illia GJAA, Scherlis DA. Structure, dynamics, and phase behavior of water in TiO2 nanopores Journal of Physical Chemistry C. 117: 3330-3342. DOI: 10.1021/jp307900q  0.36
2012 Jabes BS, Nayar D, Dhabal D, Molinero V, Chakravarty C. Water and other tetrahedral liquids: order, anomalies and solvation. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 284116. PMID 22739063 DOI: 10.1088/0953-8984/24/28/284116  0.36
2012 Johnston JC, Molinero V. Crystallization, melting, and structure of water nanoparticles at atmospherically relevant temperatures. Journal of the American Chemical Society. 134: 6650-9. PMID 22452637 DOI: 10.1021/ja210878c  0.36
2012 Shadrack Jabes B, Nayar D, Dhabal D, Molinero V, Chakravarty C. Water and other tetrahedral liquids: Order, anomalies and solvation Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/28/284116  0.36
2012 Nguyen AH, Jacobson LC, Molinero V. Structure of the clathrate/solution interface and mechanism of cross-nucleation of clathrate hydrates Journal of Physical Chemistry C. 116: 19828-19838. DOI: 10.1021/jp305468s  0.36
2012 Shepherd TD, Koc MA, Molinero V. The quasi-liquid layer of ice under conditions of methane clathrate formation Journal of Physical Chemistry C. 116: 12172-12180. DOI: 10.1021/jp303605t  0.36
2012 Moore EB, Allen JT, Molinero V. Liquid-ice coexistence below the melting temperature for water confined in hydrophilic and hydrophobic nanopores Journal of Physical Chemistry C. 116: 7507-7514. DOI: 10.1021/jp3012409  0.36
2012 De La Llave E, Molinero V, Scherlis DA. Role of confinement and surface affinity on filling mechanisms and sorption hysteresis of water in nanopores Journal of Physical Chemistry C. 116: 1833-1840. DOI: 10.1021/jp206580z  0.36
2012 Knott BC, Molinero V, Doherty MF, Peters B. Homogeneous nucleation of methane hydrates: Unrealistic under realistic conditions Journal of the American Chemical Society. 134: 19544-19547. DOI: 10.1021/ja309117d  0.36
2012 Baron R, Molinero V. Water-driven cavity-ligand binding: Comparison of thermodynamic signatures from coarse-grained and atomic-level simulations Journal of Chemical Theory and Computation. 8: 3696-3704. DOI: 10.1021/ct300121r  0.36
2011 Jacobson LC, Matsumoto M, Molinero V. Order parameters for the multistep crystallization of clathrate hydrates. The Journal of Chemical Physics. 135: 074501. PMID 21861570 DOI: 10.1063/1.3613667  0.36
2011 Jacobson LC, Molinero V. Can amorphous nuclei grow crystalline clathrates? The size and crystallinity of critical clathrate nuclei. Journal of the American Chemical Society. 133: 6458-63. PMID 21466207 DOI: 10.1021/ja201403q  0.36
2011 Winkel K, Seidl M, Loerting T, Bove LE, Imberti S, Molinero V, Bruni F, Mancinelli R, Ricci MA. Structural study of low concentration LiCl aqueous solutions in the liquid, supercooled, and hyperquenched glassy states. The Journal of Chemical Physics. 134: 024515. PMID 21241128 DOI: 10.1063/1.3528000  0.36
2011 Le L, Molinero V. Nanophase segregation in supercooled aqueous solutions and their glasses driven by the polyamorphism of water. The Journal of Physical Chemistry. A. 115: 5900-7. PMID 21166394 DOI: 10.1021/jp1102065  0.36
2011 Moore EB, Molinero V. Is it cubic? Ice crystallization from deeply supercooled water Physical Chemistry Chemical Physics. 13: 20008-20016. DOI: 10.1039/c1cp22022e  0.36
2011 Moore EB, Molinero V. Structural transformation in supercooled water controls the crystallization rate of ice Nature. 479: 506-508. DOI: 10.1038/nature10586  0.36
2011 Johnston JC, Phippen S, Molinero V. A single-component silicon quasicrystal Journal of Physical Chemistry Letters. 2: 384-388. DOI: 10.1021/jz101706k  0.36
2011 Xu L, Molinero V. Is there a liquid-liquid transition in confined water? Journal of Physical Chemistry B. 115: 14210-14216. DOI: 10.1021/jp205045k  0.36
2011 González Solveyra E, De La Llave E, Scherlis DA, Molinero V. Melting and crystallization of ice in partially filled nanopores Journal of Physical Chemistry B. 115: 14196-14204. DOI: 10.1021/jp205008w  0.36
2011 Demille RC, Cheatham TE, Molinero V. A coarse-grained model of DNA with explicit solvation by water and ions Journal of Physical Chemistry B. 115: 132-142. DOI: 10.1021/jp107028n  0.36
2011 Hujo W, Jabes BS, Rana VK, Chakravarty C, Molinero V. The Rise and Fall of Anomalies in Tetrahedral Liquids Journal of Statistical Physics. 145: 293-312. DOI: 10.1007/s10955-011-0293-9  0.36
2010 Johnston JC, Kastelowitz N, Molinero V. Liquid to quasicrystal transition in bilayer water. The Journal of Chemical Physics. 133: 154516. PMID 20969412 DOI: 10.1063/1.3499323  0.36
2010 Jacobson LC, Hujo W, Molinero V. Nucleation pathways of clathrate hydrates: effect of guest size and solubility. The Journal of Physical Chemistry. B. 114: 13796-807. PMID 20931990 DOI: 10.1021/jp107269q  0.36
2010 Jacobson LC, Hujo W, Molinero V. Amorphous precursors in the nucleation of clathrate hydrates. Journal of the American Chemical Society. 132: 11806-11. PMID 20669949 DOI: 10.1021/ja1051445  0.36
2010 Jacobson LC, Molinero V. A methane-water model for coarse-grained simulations of solutions and clathrate hydrates. The Journal of Physical Chemistry. B. 114: 7302-11. PMID 20462253 DOI: 10.1021/jp1013576  0.36
2010 Kastelowitz N, Johnston JC, Molinero V. The anomalously high melting temperature of bilayer ice. The Journal of Chemical Physics. 132: 124511. PMID 20370137 DOI: 10.1063/1.3368793  0.36
2010 De La Llave E, Molinero V, Scherlis DA. Water filling of hydrophilic nanopores Journal of Chemical Physics. 133. DOI: 10.1063/1.3462964  0.36
2010 Moore EB, Molinero V. Ice crystallization in water's "no-man's land" Journal of Chemical Physics. 132. DOI: 10.1063/1.3451112  0.36
2010 Moore EB, De La Llave E, Welke K, Scherlis DA, Molinero V. Freezing, melting and structure of ice in a hydrophilic nanopore Physical Chemistry Chemical Physics. 12: 4124-4134. DOI: 10.1039/b919724a  0.36
2010 Xu L, Molinero V. Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: Thermodynamics and kinetics Journal of Physical Chemistry B. 114: 7320-7328. DOI: 10.1021/jp102443m  0.36
2009 Demille RC, Molinero V. Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials Journal of Chemical Physics. 131. PMID 19624181 DOI: 10.1063/1.3170982  0.36
2009 Jacobson LC, Hujo W, Molinero V. Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water. The Journal of Physical Chemistry. B. 113: 10298-307. PMID 19585976 DOI: 10.1021/jp903439a  0.36
2009 Moore EB, Molinero V. Growing correlation length in supercooled water Journal of Chemical Physics. 130. DOI: 10.1063/1.3158470  0.36
2009 Molinero V, Moore EB. Water modeled as an intermediate element between carbon and silicon Journal of Physical Chemistry B. 113: 4008-4016. DOI: 10.1021/jp805227c  0.36
2008 Solomon VC, Bhat MH, Molinero V, Soignard E, Sastry S, Yarger JL, Angell AC. Electron microscopy study of germanium glass vitrified by high pressure melt-quench Microscopy and Microanalysis. 14: 1138-1139. DOI: 10.1017/S1431927608087205  0.36
2007 Bhat MH, Molinero V, Soignard E, Solomon VC, Sastry S, Yarger JL, Angell CA. Vitrification of a monatomic metallic liquid. Nature. 448: 787-90. PMID 17700696 DOI: 10.1038/nature06044  0.36
2006 Molinero V, Sastry S, Angell CA. Tuning of tetrahedrality in a silicon potential yields a series of monatomic (Metal-like) glass formers of very high fragility Physical Review Letters. 97. DOI: 10.1103/PhysRevLett.97.075701  0.36
2006 Goddard W, Merinov B, Van Duin A, Jacob T, Blanco M, Molinero V, Jang SS, Jang YH. Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes Molecular Simulation. 32: 251-268. DOI: 10.1080/08927020600599709  0.36
2006 Molinero V, Goddard WA. Molecular modeling of carbohydrates with no charges, no hydrogen bonds, and no atoms Acs Symposium Series. 930: 271-284.  0.36
2005 Jang SS, Lin ST, Cagin T, Molinero V, Goddard WA. Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFE. The Journal of Physical Chemistry. B. 109: 10154-67. PMID 16852231 DOI: 10.1021/jp050125w  0.36
2005 Molinero V, Goddard WA. Microscopic mechanism of water diffusion in glucose glasses Physical Review Letters. 95. PMID 16090821 DOI: 10.1103/PhysRevLett.95.045701  0.36
2004 Deng WQ, Molinero V, Goddard WA. Fluorinated imidazoles as proton carriers for water-free fuel cell membranes Journal of the American Chemical Society. 126: 15644-15645. PMID 15571377  0.36
2004 Molinero V, Çag?n T, Goddard WA. Mechanisms of nonexponential relaxation in supercooled glucose solutions: The role of water facilitation Journal of Physical Chemistry A. 108: 3699-3712. DOI: 10.1021/jp036680k  0.36
2004 Jang SS, Molinero V, Çagin T, Goddard WA. Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117 Solid State Ionics. 175: 805-808. DOI: 10.1016/j.ssi.2004.08.039  0.36
2004 Jang SS, Molinero V, Çaǧin T, Goddard WA. Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence Journal of Physical Chemistry B. 108: 3149-3157.  0.36
2004 Molinero V, Goddard WA. M3B: A coarse grain force field for molecular simulations of malto-oligosaccharides and their water mixtures Journal of Physical Chemistry B. 108: 1414-1427.  0.36
2003 Molinero V, Çaǧin T, Goddard WA. Sugar, water and free volume networks in concentrated sucrose solutions Chemical Physics Letters. 377: 469-474. DOI: 10.1016/S0009-2614(03)01170-9  0.36
2003 Jang SS, Molinero V, Çaǧin T, Goddard WA. Effect of monomeric sequence on nanophase-segregated structure and water transport in Nafion 117 Acs Division of Fuel Chemistry, Preprints. 48: 510-511.  0.36
2000 Molinero V, Laria D, Kapral R. Dynamics of solvation-induced structural transitions in mesoscopic binary clusters Physical Review Letters. 84: 455-8. PMID 11015937 DOI: 10.1103/PhysRevLett.84.455  0.36
1998 Molinero V, Laria D, Kapral R. Mixing and segregation in binary polar-molecule clusters Journal of Chemical Physics. 109: 6844-6853. DOI: 10.1063/1.477251  0.36
1998 Molinero V, Calvo EJ. Electrostatic interactions at self assembled molecular films of charged thiols on gold Journal of Electroanalytical Chemistry. 445: 17-25.  0.36
Show low-probability matches.