Hao LiCNLS Postdoctoral Research Associate T-1/CNLS Quantum Chemistry Office: TA-3, Bldg 1690, Room 115 Mail Stop: B258 Phone: (505) 606-0535 Fax: (505) 665-2659 hao@lanl.gov home page | | Educational Background/Employment:- Ph.D. Chemistry, Wayne State University (2011)
- M.Sc. Polymer Chemistry and Physics, University of Science and Technology of China
- B.E. Polymer Science and Engineering, University of Science and Technology of China
- Employment:
- 2011-present Postdoctoral Research Associate, T-1/CNLS, Los Alamos National Laboratory
Research Interests: - Relations between photophysical properties and chemical structures in organic semiconductors and nano-materials
- Theories and simulations of electronic structures and spectroscopy of photoactive organic and inorganic materials
- Multiscale modeling of excited-state electronic structures of conjugated molecules and complexes
Selected Recent Publications: - H. Li, M. J. Catanzaro, S. Tretiak, and V. Y. Chernyak, Excited-state structure modifications due to molecular substituents and exciton scattering in conjugated molecules, J. Phys. Chem. Lett., 5, 641-647 (2014)
- H. Li, S. V. Malinin, S. Tretiak, and V. Y. Chernyak, Effective tight-binding models for excitons in branched conjugated molecules, J. Chem. Phys., 139, 064109 (2013)
- H. Li, V. Y. Chernyak, and S. Tretiak, Natural atomic orbital representation for optical spectra calculations in the exciton scattering approach, J. Phys. Chem. Lett., 3, 3734-3739 (2012)
- H. Li, C. Wu, S. V. Malinin, S. Tretiak, and V. Y. Chernyak, Exciton scattering on symmetric branching centers in conjugated molecules, J. Phys. Chem. B., 115(18), 5465-5475 (2011)
- H. Li, C. Wu, S. V. Malinin, S. Tretiak, and V. Y. Chernyak, Excited states f donor and acceptor substituted conjugated oligomers: a perspective from the Exciton Scattering Approach, J. Phys. Chem. Lett., 1, 3396-3400 (2010)
- H. Li, S. V. Malinin, S. Tretiak, and V. Y. Chernyak, Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra, J. Chem. Phys., 132, 124103 (2010)
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