Valeria Molinero
University of Utah
150 Papers
885 Citations
Valeria Molinero is an academic researcher from University of Utah. The author has contributed to research in topics: Nucleation & Ice nucleus. The author has an hindex of 54, co-authored 135 publications. Previous affiliations of Valeria Molinero include Facultad de Ciencias Exactas y Naturales & University of Buenos Aires.
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Papers
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero,Emily B. Moore +1 more
TL;DR: mW mimics the hydrogen-bonded structure of water through the introduction of a nonbond angular dependent term that encourages tetrahedral configurations, and concludes that it is not the nature of the interactions but the connectivity of the molecules that determines the structural and thermodynamic behavior of water.
1K
Structural transformation in supercooled water controls the crystallization rate of ice
Emily B. Moore,Valeria Molinero +1 more
TL;DR: Moore and Molinero as discussed by the authors showed that a sharp increase in the fraction of four-coordinated molecules in supercooled liquid water explains its anomalous thermodynamics and also controls the rate and mechanism of ice formation.
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Water modeled as an intermediate element between carbon and silicon
Valeria Molinero,Emily B. Moore +1 more
TL;DR: In this article, a coarse-grained model of water (mW) was developed, which is essentially an atom with tetrahedrality intermediate between carbon and silicon, and mimics the hydrogen-bonded structure of water through the introduction of a nonbond angular dependent term.
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Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence
TL;DR: The properties of hydrated Nafion polyelectrolyte are attributed to its nanophase-segregre... as mentioned in this paper, which is widely used in polymer electrolyte membrane fuel cells due to its high proton conductivity.
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Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.
Gerardo Andrés Cisneros,Kjartan Thor Wikfeldt,Lars Ojamäe,Jibao Lu,Yao Xu,Hedieh Torabifard,Albert P. Bartók,Gábor Csányi,Valeria Molinero,Francesco Paesani +9 more
TL;DR: Most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many- body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought “universal model” capable of describing the behavior of water under different conditions and in different environments.