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Li’s Research

Dr. Li’s group utilizes first-principles density functional theory-based methods to couple with molecular dynamics, phase field modeling, machine learning and experiment. The research spans from materials growth to property screening, from device simulation to data science.

Nuclear Materials and Sensor Devices

Low-Dimensional Materials and Growth 

DNA-Assembled Dye Aggregates for Quantum Computing

Carbon Capture and Storage

Dr. Li’s group widely collaborates with national labs, industry and other universities, including National Institute of Standards and Technology (NIST), Idaho National Lab (INL), Center for Advanced Energy Studies (CAES), Boeing, Brewer Science Inc.,¬† University of Hong Kong, Institute of High Performance Computing in Singapore, etc. Dr. Li has received funding from DOE, NSF, NASA and NIST.