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个人简介
Our research objective is to push the limits of quantitative theories and computing technology to interpret and sometimes predict the properties and transformations of molecules, polymers, solids, and liquids computationally. We develop new mathematical methods and computational algorithms to make the fundamental equations of motion of chemistry, which are high-dimensional partial differential equations with complex boundary conditions, tractable for numerical solutions. To this end, we study the mathematical structure of wave functions of molecules and solids in various states and asymptotic behavior of inter-particle interactions at short and long ranges. The resulting predictive computational methods and software that implements them have the potential of becoming an independent method of discovery in addition to being an essential interpreter of experimental results.
研究兴趣
论文共 177 篇作者统计合作学者相似作者
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JOURNAL OF CHEMICAL PHYSICSno. 8 (2023)
Physical Review Ano. 5 (2023)
MOLECULAR PHYSICS (2022)
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D-Core
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