Jingsong J. Huang

My initial background was experimental organic chemistry and physical chemistry, with some experiences in chemical industry. I pivoted to theoretical and computational studies of physical and chemical problems of functional materials in 1999. Research expertise lies mainly in 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 MLFF/MLIP, DFT, TDDFT, CCSD(T), QCISD(T), 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 bridge experimental observations with theoretical insights, thereby guiding material discovery and optimization.