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Machine Learning

  • 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

Radioactivity Disaster
  • 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.

Materials Discovery

  • 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

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