Postdoctoral Research Associate,
Computational Chemical Sciences Group,
Computer Science and Mathematics Division

Education, Professional Experience, Activities, and Honors: Jingsong received his BS degree in Chemistry in 1991 from Southwest University in Chongqing, China and his MS degree in Physical Chemistry in 1994 from Nankai University in Tianjin, China. He finished his PhD degree in 2006 under the mentorship of Prof. Miklos Kertesz in the Chemistry Department at Georgetown University in Washington, DC. His PhD research focuses on developing a fundamental understanding of electronic and magnetic properties of organic conducting molecular materials with the aid of new analyses of available experimental data and theoretical calculations at diverse levels of theory. Before joining the Computational Chemical Sciences Group, he was a Research Fellow at Georgetown University. He received the 2005 Chinese Government Award for Outstanding Self-Financed Students Abroad presented by Zhou Wenzhong, Ambassador of the People's Republic of China to the United States. Only eight PhD students in the area of chemistry received this award in the United States in 2005. In 2008, he was awarded the IBM-Lowdin Fellowship at the 48th Sanibel Symposium. He also received the 2008 Harold N. Glassman Dissertation Award in Sciences from the Graduate School of Arts and Sciences of Georgetown University.

Interests and Expertise: Application of electronic structure theory at the level of ab initio and semi-empirical theories for the studies of electronic structures of semiconductors and conductors, structure-property correlations in organic conducting molecular materials, electronic properties of conducting polymers, organic reaction mechanism, molecular magnetism, (double) aromaticity, and theoretical characterization of unusual chemical bonding. At ORNL, he is also developing interests into nanoporous carbon supercapacitors and organic smart materials.

Relevant Publications:

1. Huang, J.; Sumpter, B. G.; Meunier, V. "A universal model for nanoporous carbon supercapacitors applicable to diverse pore regimes, carbons, and electrolytes", Chem.-Eur. J. 2008, in press.
2. Huang, J.; Sumpter, B. G.; Meunier, V. "Theoretical model for nanoporous carbon supercapacitors", Angew. Chem. Int. Ed. 2008, 47, 520; Angew. Chem. 2008, 120, 530.
3. Huang, J.; Kingsbury, S.; Kertesz, M. "Crystal packing of TCNQ anion pi-radicals governed by intermolecular covalent pi-pi bonding: DFT calculations and statistical analysis of crystal structures", Invited contribution to the Spcecial Issue of PCCP on stacking interactions (2008); and dedicated to Professor Roald Hoffmann on the occasion of his 70th birthday.
4. Huang, J.; Kertesz, M. "Intermolecular covalent pi-pi bonding interaction indicated by bond distances, energy bands, and magnetism in biphenalenyl biradicaloid molecular crystal", J. Am. Chem. Soc., 129, 1634-1643 (2007).
5. Huang, J.; Kertesz, M. "Stepwise Cope rearrangement of cyclo-biphenalenyl via an unusual multicenter covalent pi-bonded intermediate", J. Am. Chem. Soc., 128, 7277-7286 (2006).
6. Huang, J.; Kertesz, M. "One-dimensional metallic conducting pathway of cyclohexyl-substituted spiro-biphenalenyl neutral radical molecular crystal", J. Am. Chem. Soc., 128, 1418-1419 (2006).
7. Huang, J.; Kertesz, M. "Spin crossover of spiro-biphenalenyl neutral radical molecular conductors", J. Am. Chem. Soc., 125, 13334-13335 (2003).

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