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Journal of Chemical Theory and Computation|June 29, 2026
Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular DynamicsJunting Yu, Shuo-Hui Li, Ding Pan
Physical Review Letters|July 31, 2025
Deep Generative Modeling of the Canonical Ensemble with Differentiable Thermal PropertiesShuo-Hui Li, Yao-Wen Zhang, Ding Pan
The Journal of Physical Chemistry Letters|December 3, 2020
Tuning the Performance of Aqueous Organic Redox Flow Batteries via First-Principles CalculationsJunting Yu, Tian-Shou Zhao, Ding Pan
The Journal of Physical Chemistry Letters|April 30, 2021
Water-Gas Shift Reaction Produces Formate at Extreme Pressures and Temperatures in Deep Earth FluidsNore Stolte, Junting Yu, Zixin Chen, et al.
Physical Review Letters|January 13, 2019
Neural Network Renormalization GroupShuo-Hui Li, Lei Wang
Nature Communications|January 23, 2020
A first principles method to determine speciation of carbonates in supercritical waterDing Pan, Giulia Galli
Science Advances|October 21, 2016
The fate of carbon dioxide in water-rich fluids under extreme conditionsDing Pan, Giulia Galli
The Journal of Physical Chemistry Letters|August 15, 2019
Large Presence of Carbonic Acid in CO2-Rich Aqueous Fluids under Earth's Mantle ConditionsNore Stolte, Ding Pan
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