校庆专题 保定校区 English

Quantum and classical density functional theory

来源:科学技术处、科技学院发布时间:2018-12-10

【讲座题目】Quantum and classical density functional theory

【讲座时间】2018 年 12 月 11 日(星期二) 14:30

【讲座地点】保定校区科技学院教二楼会议室

【主 讲 人】吴建中  教授、长江学者

【主讲人概况】

Dr. Jianzhong Wu is a professor in the Department of Chemical Engineering and a cooperating faculty of Mathematics at the University of California, Riverside. He received PhD in Chemical Engineering from the University of California at Berkeley, MS and BS/BEng degrees from Tsinghua University. Dr. Wu’s research is primarily focused on the development and application of statistical-mechanical methods for predicting the microscopic structure and physiochemical properties of confined fluids, soft materials and biological systems. He is a fellow of the American Physics Society and of the American Institute for Medical and Biological Engineering.

【内容概况】

Density functional theory can be formulated to predict the properties of molecular fluids as well as quantum systems following the universality of bridge functional, an ansatz first proposed by Rosenfeld. The connection between classical and quantum systems can be established with a classical map to reproduce the pair correlation functions of homogeneous non-interacting quantum systems. The theoretical procedure can be utilized to account for quantum relativistic effects and is potentially useful to formulate exchange-correlation functionals beyond conventional electronic theories such as various modifications of the generalized gradient approximations.


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