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Discovery of High Functional Electrocatalysts Beyond Pt
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Development of Neural Network Potentials and Computational Framework & Platform
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High-throughput Computational Screen of New Materials
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Advanced Materials by Hybrid Interfaces

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Establishment of Bigdata for Thermodynamic and Kinetic Properties of Hazardous Chemicals
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Identification of Reaction Mechanisms of Lanthanides and Actinides in Non-Aqueous Solution
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Design of Protective Membranes against Toxic Chemicals and Catalysts for Environmental Remedy
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Multiscale Modeling & Estimating Free Energy Diagram and Activation Barrier for Reactions.

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Innovative Design of Electrocatalytic Materials for Hydrogen/Oxygen Production Beyond Pt
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Hybrid Interfacial Materials for High Performance Electrodes & Electrolytes for Li-Ion Batteries
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Design of Photocatalysts for Water Split
