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Yu Shi

3PUBLICATIONS

2CO-AUTHORS

Theoretical quantum chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)

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Publications (3)

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|Aug 03, 2022

Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics.

Yu Shi, Stephen T Lam, Thomas L Beck

|Oct 18, 2021

Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on <i>Ab Initio</i> Simulation Data.

Yu Shi, Carrie C Doyle, Thomas L Beck

|Nov 18, 2020

Absolute ion hydration free energy scale and the surface potential of water via quantum simulation.

Yu Shi, Thomas L Beck

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Frequent Collaborators

2 joint publications

Thomas L Beck

1 joint publications

Stephen T Lam

Frequent Collaborators

2 joint publications

Thomas L Beck

1 joint publications

Stephen T Lam

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