Princeton University

报告人简介：
Prof. Roberto Car is an Italian physicist, who works on simulation of molecular dynamics phenomena. He studied physics and attained a doctorate in 1971 in nuclear technology at the Politecnico di Milano. He was in 1973/74 a postdoc at the University of Milan, from 1977 to 1981 an assistant at the école Polytechnique Fédérale de Lausanne, from 1981 to 1983 at the Thomas J. Watson Research Center of IBM, from 1984 to 1990 associate professor for physics at SISSA in Trieste (in 1990/91 as full professor) and from 1991 to 1999 professor for physics at the University of Geneva (and director of the IRRMA of the ETH Lausanne).
He went in 1999 to Princeton University, where he became the Ralph W. Dornte professor for chemistry with a simultaneous appointment at the Material Sciences Institute of the university. He is a professor in the Theory Department, of the Fritz Haber Institute of the Max Planck Society. He is a member of the Italian Scientists and Scholars in North America Foundation. He received in 1990 the Hewlett-Packard prize of the European Physical Society, in 1995 the Rahman Prize of the American Physical Society, where he is a Fellow, and in 2009 with Parinello the Sidney Fernbach Award of the IEEE. In 2008, he received the Humboldt Foundation Research Award for senior US scientists. In 2007, a birthday symposium was held at ICTP. He received the Aneesur Rahman prize in computational physics. The Aneesur Rahman Prize is the highest honor given by the American Physical Society for work in computational physics. He received in 2009 with Michele Parrinello the Dirac Medal for their development of the ab initio molecular dynamics simulation method. It is also well known as the Car-Parrinello method.

报告摘要:
The structure and dynamics of water change dramatically with thermodynamic conditions. In this talk I will discuss computer simulations in three regimes: deep undercooling, ambient, and extreme pressures/temperatures. The first regime is currently only accessible to model potential simulations. Ab-initio studies will be considered in the other two cases. The phase diagram of water, at deeply undercooled conditions, is important to understand the thermodynamic anomalies of water. Modeling accurately hydrogen bonding, van der Waals interactions and nuclear quantum effects is very challenging for ab-initio simulations of ambient water. Finally, at extremely high pressure ionic bonding and new states of matter emerge with implications for planetary science.

联 系 人：于冰（82649510）