Abstract
The electronic processes in molecular aggregates determines the performance of functional materials, which boils down to the electronic dynamics in complex systems. In this talk, we present a novel definition of exciton coherence length, which is related to the luminescence efficiency of aggregates. To address the controversial issue of charge transport in organic semiconductors, we propose the quantum nuclear tunneling model, which predicts the negative isotope effects and provides a unified description.
Biography
Zhigang Shuai received B.Sc. in 1983 from Sun Yat-sen University majoring in physics, M. Sc. from Jinan University in Guangzhou and PhD in theoretical physics in 1989 from Fudan University in Shanghai. Then, he went to Belgium as a postdoc in the Laboratory of Jean-Luc Brédas in University of Mons. He was granted the Outstanding Young Investigator’s Fund from the National Natural Science Foundation of China in 2004. He has developed the quantum chemistry density matrix renormalization group (DMRG) algorithm and its time-dependent formalism for the electronic structure and quantum dynamics. He has developed computational methods to modelling and understanding the light-emitting, carrier transport, and energy conversion processes for organic and polymeric materials. The computational package MOMAP developed by his research group has been successfully commercialized.
He was the recipient of the Chinese Chemical Society – AkzoNobel Chemical Science Award (2012), the French Chemical Society Prix Franco-Chinois (2018), and the First-Class Award of Beijing Municipal Natural Science Prize (2020).
He has been elected to the International Academy of Quantum Molecular Science in 2008 and became the vice president in 2018. He was elected as Fellow of the Royal Society of Chemistry in 2009, foreign member of the Academia Europaea in 2011 and the Royal Academy of Belgium in 2013, and the scientific board member of the World Association of Theoretical and Computational Chemists (WATOC) in 2017. He is also an Honorary Member of the Physical Society of Uzbekistan and a Fellow of the Chinese Chemical Society. He was elected to the Executive Committee of the International Union of Pure and Applied Chemistry (IUPAC) for the term of 2022-2025. He has been elected to the Standing Council Committee of the Chinese Chemical Society since 2010 and served as Vice President since 2019.
He is the Associate Editor for Acta Chimica Sinica and the Deputy Editor for “Research – a Science Partner Journal”. He is a member of editorial board for National Science Review, Synthetic Metals, Science China Chemistry and a member of (international) advisory board of The Journal of Physical Chemistry A/B/C, ChemPhysChem, Chem Phys Lett, Nanoscale, Chem Asian J. etc.
Seminar Series by the NYU-ECNU Center for Computational Chemistry at NYU Shanghai
This event is open to the NYU Shanghai, NYU, ECNU community and the computational chemistry community.