Search Results - "Remsing, Richard C."

Self-consistent determination of long-range electrostatics in neural network potentials by Gao, Ang, Remsing, Richard C.

“…Machine learning has the potential to revolutionize the field of molecular simulation through the development of efficient and accurate models of interatomic…”
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Ab initio theory and modeling of water by Chen, Mohan, Ko, Hsin-Yu, Remsing, Richard C., Andrade, Marcos F. Calegari, Santra, Biswajit, Sun, Zhaoru, Selloni, Annabella, Car, Roberto, Klein, Michael L., Perdew, John P., Wu, Xifan

“…Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that…”
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Electronic paddle-wheels in a solid-state electrolyte by Dhattarwal, Harender S., Somni, Rahul, Remsing, Richard C.

“…Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational…”
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Effect of Interlayer Spacing on the Activity of Layered Manganese Oxide Bilayer Catalysts for the Oxygen Evolution Reaction by Kang, Qing, Vernisse, Loranne, Remsing, Richard C, Thenuwara, Akila C, Shumlas, Samantha L, McKendry, Ian G, Klein, Michael L, Borguet, Eric, Zdilla, Michael J, Strongin, Daniel R

“…We investigated the dependence of the electrocatalytic activity for the oxygen evolution reaction (OER) on the interlayer distance of five compositionally…”
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Long-ranged contributions to solvation free energies from theory and short-ranged models by Remsing, Richard C., Liu, Shule, Weeks, John D.

“…Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like)…”
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Protein Hydration Thermodynamics: The Influence of Flexibility and Salt on Hydrophobin II Hydration by Remsing, Richard C, Xi, Erte, Patel, Amish J

“…The solubility of proteins and other macromolecular solutes plays an important role in numerous biological, chemical, and medicinal processes. An important…”
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Dissecting Hydrophobic Hydration and Association by Remsing, Richard C, Weeks, John D

“…We use appropriately defined short-ranged reference models of liquid water to clarify the different roles local hydrogen bonding, van der Waals attractions,…”
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Pathways to dewetting in hydrophobic confinement by Remsing, Richard C, Erte Xi, Srivathsan Vembanur, Sumit Sharma, Pablo G. Debenedetti, Shekhar Garde, Amish J. Patel

“…Liquid water can become metastable with respect to its vapor in hydrophobic confinement. The resulting dewetting transitions are often impeded by large kinetic…”
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Nickel Confined in the Interlayer Region of Birnessite: an Active Electrocatalyst for Water Oxidation by Thenuwara, Akila C., Cerkez, Elizabeth B., Shumlas, Samantha L., Attanayake, Nuwan H., McKendry, Ian G., Frazer, Laszlo, Borguet, Eric, Kang, Qing, Remsing, Richard C., Klein, Michael L., Zdilla, Michael J., Strongin, Daniel R.

“…We report a synthetic method to enhance the electrocatalytic activity of birnessite for the oxygen evolution reaction (OER) by intercalating Ni2+ ions into the…”
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Water density fluctuations relevant to hydrophobic hydration are unaltered by attractions by Remsing, Richard C, Patel, Amish J

“…An understanding of density fluctuations in bulk water has made significant contributions to our understanding of the hydration and interactions of idealized,…”
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Ion-dependent protein–surface interactions from intrinsic solvent response by Prelesnik, Jesse L., Alberstein, Robert G., Zhang, Shuai, Pyles, Harley, Baker, David, Pfaendtner, Jim, De Yoreo, James J., Tezcan, F. Akif, Remsing, Richard C., Mundy, Christopher J.

“…The phyllosilicate mineral muscovite mica is widely used as a surface template for the patterning of macromolecules, yet a molecular understanding of its…”
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Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering by Ning, Jinliang, Furness, James W., Zhang, Yubo, Thenuwara, Akila C., Remsing, Richard C., Klein, Michael L., Strongin, Daniel R., Sun, Jianwei

“…[Display omitted] •OER catalyzed by Co-intercalated layered MnO2 is studied theoretically.•Over-stabilization of intermediates on the surface results in a high…”
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Solvation of Carbohydrates in N,N′-Dialkylimidazolium Ionic Liquids: A Multinuclear NMR Spectroscopy Study by Remsing, Richard C, Hernandez, Gonzalo, Swatloski, Richard P, Massefski, Walter W, Rogers, Robin D, Moyna, Guillermo

“…The solvation of carbohydrates in N,N′-dialkylimidazolium ionic liquids (ILs) was investigated by means of 13C and 35/37Cl NMR relaxation and 1H pulsed field…”
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Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications by Le Donne, Andrea, Tinti, Antonio, Amayuelas, Eder, Kashyap, Hemant K., Camisasca, Gaia, Remsing, Richard C., Roth, Roland, Grosu, Yaroslav, Meloni, Simone

“…Wetting and drying of pores or cavities, made by walls that attract or repel the liquid, is a ubiquitous process in nature and has many technological…”
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Solvation and Aggregation of N,N′-Dialkylimidazolium Ionic Liquids: A Multinuclear NMR Spectroscopy and Molecular Dynamics Simulation Study by Remsing, Richard C, Liu, Zhiwei, Sergeyev, Ivan, Moyna, Guillermo

“…The solvation and aggregation of the ionic liquid (IL) 1-n-butyl-3-methylimidazolium chloride ([C4mim]Cl) in water and dimethylsulfoxide (DMSO) were examined…”
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Comment on "NMR spectroscopic studies of cellobiose solvation in EmimAc aimed to understand the dissolution mechanism of cellulose in ionic liquids" by J. Zhang, H. Zhang, J. Wu, J. Zhang, J. He and J. Xiang, Phys. Chem. Chem. Phys., 2010, 12, 1941 by Remsing, Richard C, Petrik, Igor D, Liu, Zhiwei, Moyna, Guillermo

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Playing the long game wins the cohesion–adhesion rivalry by Remsing, Richard C.

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Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional by Sun, Jianwei, Remsing, Richard C., Zhang, Yubo, Sun, Zhaoru, Ruzsinszky, Adrienn, Peng, Haowei, Yang, Zenghui, Paul, Arpita, Waghmare, Umesh, Wu, Xifan, Klein, Michael L., Perdew, John P.

“…One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational…”
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Short solvent model for ion correlations and hydrophobic association by Gao, Ang, Remsing, Richard C., Weeks, John D.

“…Coulomb interactions play a major role in determining the thermodynamics, structure, and dynamics of condensed-phase systems, but often present significant…”
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Dielectric Saturation in Water from a Long-Range Machine Learning Model by Dhattarwal, Harender S., Gao, Ang, Remsing, Richard C.

“…Machine learning-based neural network potentials have the ability to provide ab initio-level predictions while reaching large length and time scales often…”
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