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Group Members |
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Roberto Car is the Ralph W. Dornte *31 Professor in Chemistry at Princeton University. He is affiliated to the Department of Physics, the Princeton Institute for the Science and Technology of Materials (PRISM), and the Program in Computational and Applied Mathematics (PACM).
He received a doctorate in physics from the Milan Institute of Technology. Before joining Princeton University in 1999, he worked at the University of Milan, the Swiss Federal Institute of Technology, the IBM T.J. Watson Research Center, the International School for Advanced Studies in Trieste, and the University of Geneva. He is a fellow of the American Physical Society and was awarded the Raman Prize for Computational Physics from the American Physical Society in 1995 and the Hewlett-Packard Europhysics Prize for Outstanding Achievement in Solid State Physics from the European Physical Society in 1990.
His research has been focused on understanding the physical and chemical properties of matter in condensed and molecular phases using computational methods based on first-principles microscopic quantum theory.
Any questions may be directed to rcar@princeton.edu
Xifan Wu is currently developing the hybrid-functional method within the Car-Parrinello molecular dynamics (CPMD) scheme. Formulated by the localized orbitals (e.g. maximally localized Wannier functions) and combined with real space computational techniques, he is wokring towards the achievement of an order-N algorithm. He is also interested in applying this methodological framework to applications in physical and chemical properties of materials.
Wei Chen is a graduate student in the Department of Physics. He earned his B.S. in Physics from Fudan University (Shanghai) in 2003 and joined the Car group in 2005. He is currently involved in two projects. In one project he is working with group alumnus Dr. Manu Sharma, to study the IR spectrum of ice and water using dynamic dipole correlation functions. In another project he is trying to incorporate various physical effects to compute the Near Edge X-ray Absorption Fine Structure (NEXAFS) of ice and water from first principles. The result is an ab initio cocktail recipe as a healthy mixture of customized ultra-soft pseudo-potentials, Car-Parrinello molecular dynamics, self-consistent electronic structure calculations, and post processing schemes involving PAW reconstructions.
Zhaofeng Li is a graduate student in Physics department. He is likely to focus his research on transport properties of molecular wires and related systems. Further details will be available shorty. He earned his B.S. from University of Science and Technology of China in June 2006 and joined the Car Group in January, 2008.
Lin Lin is a graduate student in the Program of Applied and Computational Mathematics (PACM). He earned his B.S. degree from the Department of Scientific and Engineering Computing, Peking University, and has been working in Car Group since 2008. He is currently also working with Professor E in Mathematics Department and PACM at Princeton University. He is strongly attracted by the beautiful nature of many models in computational quantum chemistry, both in the sense of mathematics and that of natural sciences. He is currently engaged in the study of the diffusion coeffcient of water. Future research interest may focus on understanding and developing effective computational models for other quantum dynamical properties of water systems.
Joseph Morrone is a graduate student in the Department of Chemistry. He is primarily engaged in the study of nuclear quantum effects in hydrogen-bonded systems. To this end, he has been involved in the development of methodology for the computation of proton momentum distributions via open path integral molecular dynamics simulation. He is currently employing these algorithms in conjunction with Car-Parrinello molecular dynamics, in order to compute the proton momentum distribution in the solid and liquid phases of water. Morrone received his Bachelor of Science degree from New York University in 2003. More information about his past and current research activities may be found on his website.