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Journal of Chemical Theory and Computation|December 7, 2019
Machine Learning-Guided Approach for Studying Solvation EnvironmentsYasemin Basdogan, Mitchell C Groenenboom, Ethan Henderson, et al.Biophysical Journal|March 11, 2021
Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gateMonika R VanGordon, Lindsey A Prignano, Robert E Dempski, et al.The Journal of Physical Chemistry. B|February 3, 2023
Development of AMOEBA Polarizable Force Field for Rare-Earth La3+ Interaction with Bioinspired LigandsElizabeth E Wait, Justin Gourary, Chengwen Liu, et al.The Journal of Physical Chemistry Letters|April 24, 2024
Hybrid Density Functional Theory Comparison of Oxygen Release and Solvent Decomposition Kinetics on LiNiO2 SurfacesKevin Leung, Minghao ZhangThe Journal of Chemical Physics|October 24, 2007
Energies of ions in water and nanopores within density functional theoryKevin Leung, Martijn MarsmanPhysical Chemistry Chemical Physics : PCCP|February 3, 2021
Electron leakage through heterogeneous LiF on lithium-metal battery anodesManuel Smeu, Kevin LeungJournal of Chemical Theory and Computation|November 2, 2016
Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and DiffusionMangesh I Chaudhari, Jijeesh R Nair, Lawrence R Pratt, et al.Langmuir : the ACS Journal of Surfaces and Colloids|June 4, 2014
Spatiotemporal pH dynamics in concentration polarization near ion-selective membranesMathias B Andersen, David M Rogers, Junyu Mai, et al.Methods in Molecular Biology (Clifton, N.J.)|September 1, 2020
Computing Potential of the Mean Force Profiles for Ion Permeation Through Channelrhodopsin Chimera, C1C2Chad Priest, Monika R VanGordon, Caroline Rempe, et al.The Journal of Physical Chemistry. B|May 17, 2018
Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic EffectsAng Gao, Liang Tan, Mangesh I Chaudhari, et al.Pageof 15