Research Interests
The primary research interests of the LI Group include i) development of theory for materials design, ii) new computational methodology development based upon artificial intelligence (AI), and iii) design of effective catalysts for energy and environmental reactions with special emphasis on sustainable production. These three areas are independent of each other but meanwhile highly inter-connected, as summarized in Scheme 1.
Research Interest 1:
Development of materials theory for the design of catalysts, solid-state electrolytes, and hydrogen storage materials
Research Interest 2:
New computational methodology development based upon artificial intelligence (AI)
Research Interest 3:
Design of effective catalysts for energy and environmental reactions with special emphasis on sustainable production
Development of materials theory for the design of catalysts, solid-state electrolytes, and hydrogen storage materials
Research Interest 2:
New computational methodology development based upon artificial intelligence (AI)
Research Interest 3:
Design of effective catalysts for energy and environmental reactions with special emphasis on sustainable production
Schemes 2-3:
We're developing “A Catalysis Universe”: to understand catalysis by simple binding energies with materials theory. The The CatMath provides users with a friendly platform to generate surface Pourbaix diagrams and catalytic volcano models (Link);
Scheme 4:
We developed a dynamic database of solid-state electrolyte (DDSE) for picturing all-solid-state batteries (Link);