| Length scales and interfacial potentials in ion hydration Y Shi, TL Beck The Journal of chemical physics 139 (4), 2013 | 50 | 2013 |
| 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 | 37 | 2019 |
| 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 | 21 | 2017 |
| 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 | 18 | 2020 |
| 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 | 13 | 2021 |
| 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 | 3 | 2022 |
| The Geometry and Size Effects of Water-Vapor Interfacial Potential Shift Y Shi, M Liu, T Beck | | 2024 |
| The Solvation Free Energy of Europium II/III in LiCl-KCl Eutectic Mixture with Polarizable Force Fields Y Shi, M Liu, T Beck | | 2024 |
| A Continuum Model with Differential Evolution on Binary Phase Diagram of Ionic Surfactant Aqueous Solution Y Shi, TL Beck | | 2024 |
| Theory and Simulation of Specific Ion Hydration Y Shi, TL Beck | | |
