能源论坛122期-Water Surprises From Ab-initio Molecular Dynamics Simulations
发布于:2017-07-06 14:52:53   |   作者:[学院] 能源学院   |   浏览次数:308
时间:2017年7月12日下午3:45-4:45
地址:清水河图书馆二楼E区光影报告厅
主办:研究生院
承办:能源科学与工程学院
范围:全校
报告人:Prof. Roberto Car, Princeton University, USA 

报告内容

The electronic charge and the corresponding electric field distribution are at the origin of many of the unusual properties of liquid water. First, prof. Car will discuss how static and dynamic dielectric properties of water result from the distribution of molecular dipoles and their correlations due to hydrogen bonds. Finally, prof. Car will discuss a surprising charging effect that occurs at the interface between water and dydrophobic substances.

报告人简介

Brief resume Roberto Car studied physics and attained his doctorate in 1971 in nuclear technology at the Politecnico di Milano, is now the Ralph W. Dornte Professor of Chemistry at Princeton University since 1999. His group research motivation is to understand the atomistic and the electronic structure and dynamics in materials using theoretical tools and numerical simulations. Although basic science is the main goal of his research, the findings and computational methodologies in his group have technological implications and can help the design of new materials and devices with selected properties. Their methodology is rooted in theoretical physics, and particularly in quantum and statistical mechanics. Among their simulation tools ab-initio molecular dynamics playing a particularly important role, is now a standard tool for molecular simulation. Prof. Car is the author of more than 200 papers in Nature, Science, JACS, PRL, et al.. It is notable that the highest citation is more than 6000 times for one paper.

 

Honors Elected Member of the National Academy of Sciences (2016); National Award in Theoretical Chemistry of the American Chemical Society (2016); Enrico Fermi Prize of the Italian Physical Society (2012); Berni J. Alder CECAM Prize in Computational Physics (2010); Sidney Fernbach Award of the IEEE Computer Society (2009); Humboldt Research Award for Senior U.S. Scientists (2009); Dirac Medal and Prize of the International Centre for Theoretical Physics (ICTP) (2008).