Bio
My initial background was experimental organic chemistry and physical chemistry, with some experiences in chemical industry. I started to embark on theoretical and computational studies of physical and chemical problems of functional materials from 1999. Research experiences are mainly the modeling/simulation/theory of structure-property correlation, weak intermolecular covalent bonding interactions, and electrical energy conversion/storage, by development of theoretical models and by application of various levels of theory such as CCSD(T), QCISD(T), DFT, time-dependent DFT, EPT, quasiparticle GW, ACFDT-RPA, and BSE. With a background of an experimental chemist and expertise of a theoretical and computational chemist, my primary goal is to establish the bridge between experimental observations and theoretical rationalizations, which is further used to guide material discovery and experimental optimization.