Born August 27, 1962 in Jiangxi, China
Professor, Department of Chemistry, Tsinghua University, 100084 Beijing, China
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Outstanding Young Scientist Award of the National Science Foundation of China (2004);
Fellow of the Royal Society of Chemistry (2009);
Foreign Member of the Academia Europaea (2011);
CCS-AkzoNobel Chemical Sciences Award (2012).
Deputy Secretary-General of the Chinese Chemical Society (2007-2010, 2011-2014);
Vice-Chairman of the Theoretical Chemistry Division Committee of the Chinese Chemical Society (2007-2010, 2011-2014);
Editorial Board Member of: Theoretical Chemistry Accounts,
Nanoscale, Science in China: Chemistry, Acta Physico-Chimica Sinica,
Journal of Theoretical and Computational Chemistry,
Journal of Molecular Science.
Theoretical Chemistry: Principle and Application, Zhigang Shuai and Jiushu Shao (Science-in-China Press, Beijing, 2008). Theory of Charge Transport in Carbon Electronic Materials, Zhigang Shuai, Linjun Wang, and Chenchen Song (Springer, Heidelberg, 2012). Theoretical Modeling and Simulation of Nanostructures and Functions, Zhigang Shuai and Ke Xia (Science-in-China Press, Beijing, 2012). Plus over 250 articles in theoretical and physical chemistry.
Theory promises brighter polymer light-emitting-diodes; Correlation function formalism for excited state non-radiative decay, quantitative prediction of molecular light-emitting quantum efficiency and theoretical interpretation of the gaggregation enhanced light emissionh phenomena; Theoretical descriptions for charge transport in organic and carbon electronic materials covering localized charge hopping and delocalized band electron surfing mechanisms; Simulation of polymer photovoltaic process; Quantum chemistry density matrix renormalization group theory and its application to the electronic structures of semiconducting polymers.