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  English.dicp.cas.cn    Posted:2018-03-30
DICP 70th Anniversary Lecture(Ⅳ): DICP Zhang Dayu Young Investigator Lecture(I) Watch the Dance of Electrons in Molecules

Time: 30th March, 2018, 11:00 am 
Venue:Conference Room on the 1st floor, Energy Basic Building
Lecturer:Prof. LI Xiaosong, University of Washington

Abstract:

Ultrafast electronic dynamics are foundational to a wide range of chemical processes. For example, charge transfer and relaxation, crucial processes implicated in the function of photovoltaic and photocatalytic materials, are driven by electron motions and their interactions with electromagnetic fields. Research efforts in the Li group focus on the development of time-dependent many-electron theories and computational methods to investigate these ultrafast non-equilibrium dynamical processes. This talk will illustrate the power of quantum electron dynamics by presenting several important applications in molecular and materials sciences, including the formation and decay of molecular plasmons, and the coherence of electron waves and spins.

Introduction:

Professor Li’s research involves theory, computational methods development, and application to experiment at the very cutting edge of the most exciting and important areas of computational chemistry: improved accuracy in electronic structure calculations for large (i.e., many-atom or solid) systems, new time-dependent electronic structure techniques for computational spectroscopies (i.e., transient IR, X-ray absorption and multi-dimensional spectroscopies), accurate non-adiabatic dynamics for modeling excited-state chemical processes, and advanced relativistic electronic structure theories for calculating spin-couplings. Professor Li has been prodigious in his ability to invent advanced computational methods capable of accurately calculating molecular and electronic structures for large systems, and their variation with time. His new methods combine innovations in computational quantum theory with advances in computer and software technology to allow ab initio methods to be successfully applied to many cutting-edge scientific research and industrial applications. Specifically, his research focuses on developments and applications of time-dependent quantum theory and relativistic electronic structure theory. His theory developments underlie many important research areas such as strong laser controlled molecular reactions and surface catalysis, multi-electron excited states, charge transfer at interfaces, photocatalysis, photovoltaics, and spintronics. In his career, he has amassed 150 peer-reviewed publications and four widely used computational software packages, an H-index of 37, and over 4800 citations of publications and >111000 software citations.

Contact: LI Wangjun S&T Department, LIU Huijuan Personnel Department
Phone: 84379197, 84379556

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