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Yu Shi
Yu Shi
Research Scientist, Purdue University
Verified email at purdue.edu
Title
Cited by
Cited by
Year
Length scales and interfacial potentials in ion hydration
Y Shi, TL Beck
The Journal of chemical physics 139 (4), 2013
502013
The importance of the water molecular quadrupole for estimating interfacial potential shifts acting on ions near the liquid–vapor interface
CC Doyle, Y Shi, TL Beck
The Journal of Physical Chemistry B 123 (15), 3348-3358, 2019
372019
Deconstructing free energies in the law of matching water affinities
Y Shi, T Beck
The Journal of Physical Chemistry B 121 (9), 2189-2201, 2017
212017
Absolute ion hydration free energy scale and the surface potential of water via quantum simulation
Y Shi, TL Beck
Proceedings of the National Academy of Sciences 117 (48), 30151-30158, 2020
182020
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data
Y Shi, CC Doyle, TL Beck
The Journal of Physical Chemistry Letters 12 (42), 10310-10317, 2021
132021
Deep neural network based quantum simulations and quasi-chemical theory for accurate modeling of molten salt thermodynamics
Y Shi, ST Lam, T Beck
Chemical Science 13, 8265-8273, 2022
32022
A Continuum Model with Differential Evolution on Binary Phase Diagram of Ionic Surfactant Aqueous Solution
Y Shi, TL Beck
2020
Theory and Simulation of Specific Ion Hydration
Y Shi, TL Beck
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