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• Discovery of High Functional Electrocatalysts Beyond Pt

• Development of Neural Network Potentials and Computational Framework & Platform

• High-throughput Computational Screen of New Materials

• Advanced Materials by Hybrid Interfaces 

• Establishment of Bigdata for Thermodynamic and Kinetic Properties of Hazardous Chemicals

• Identification of Reaction Mechanisms of Lanthanides and Actinides in Non-Aqueous Solution

• Design of Protective Membranes against Toxic Chemicals and Catalysts for Environmental Remedy

• Multiscale Modeling & Estimating Free Energy Diagram and Activation Barrier for Reactions.

• Innovative Design of Electrocatalytic Materials for Hydrogen/Oxygen Production Beyond Pt

• Hybrid Interfacial Materials for High Performance Electrodes & Electrolytes for Li-Ion Batteries

• Design of Photocatalysts for Water Split