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RSC Advances|May 13, 2022
Polyelectrolyte layer-by-layer deposition on nanoporous supports for ion selective membranesStephen J Percival, Leo J Small, Erik D Spoerke, et al.Accounts of Chemical Research|July 13, 2022
Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical TheoryDiego T Gomez, Lawrence R Pratt, Dilipkumar N Asthagiri, et al.Molecules (Basel, Switzerland)|June 2, 2021
Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-LandscapesDiego T Gomez, Lawrence R Pratt, David M Rogers, et al.The Journal of Physical Chemistry. B|October 20, 2018
Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with MilestoningPiao Ma, Alfredo E Cardenas, Mangesh I Chaudhari, et al.The Journal of Physical Chemistry. B|December 24, 2015
Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic InteractionsMangesh I Chaudhari, Susan B Rempe, D Asthagiri, et al.Journal of the American Chemical Society|October 12, 2017
The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning TheoryPiao Ma, Alfredo E Cardenas, Mangesh I Chaudhari, et al.Biophysical Chemistry|May 9, 2006
Ab initio molecular dynamics study of the hydration of the formohydroxamate anionKevin LeungPhysical Chemistry Chemical Physics : PCCP|December 2, 2014
Predicting the voltage dependence of interfacial electrochemical processes at lithium-intercalated graphite edge planesKevin LeungPhysical Chemistry Chemical Physics : PCCP|February 20, 2020
DFT modelling of explicit solid-solid interfaces in batteries: methods and challengesKevin LeungNano Letters|August 2, 2023
Finding Infinities in Nanoconfined Geothermal Electrolyte Static Dielectric Properties and Implications on Ion Adsorption/PairingKevin LeungPageof 15