Teaching the Theory in Density Functional Theory
Abstract
Statement of Work:The PI will host a summer school on the theoretical, analytical and computational aspects of the Density Functional Theory (DFT).Objective:DFT is a method for computational simulation of the electronic states of a material system based on the Schrodinger equation of quantum mechanics. It is one of the most widely used methods in all of computational physics and chemistry. The main objective of the school is to make the theoretical framework of DFT accessible to advanced graduate students and postdoctoral fellow.Approach:This summer school would bring together approximately 50 graduate students and postdoctoral scholars for 5 days of lectures on DFT. The lectures would be presented by a set of world leaders in DFT, from the fields of mathematics, physics and chemistry. The summer school would be held at the Institute for Pure and Applied Mathematics (IPAM) on the UCLA campus. IPAM is a national math institute sponsored primarily by the National Science Foundation. Since it was founded in 2000, IPAM has held hundreds of workshops and long programs involving thousands of participants. In particular, IPAM has held 12 summer schools on a variety of topics, but similar in format to the summer school proposed here. They have involved 1-3 weeks of lectures for 50-200 students in each summer school. The 2014 summer school was a hands-on training in use of DFT software. None of these summer schools were devoted to the theory of DFT.Overall Merit and ONR Mission/Relevance:Overall merits: This effort will bring several dozen advanced students in mathematics and computational science in touch with a set of world-renowned experts in DFT. ONR Relevance: DFT is important for a wide range of defense, industrial and academic applications, including design and simulation of structural, electronic and photonic materials, drugs and catalysts. Currently research on new DFT methods is more active in Europe than in the US. This summer school would promote research on DFT in the US, as well as interaction of European and US researchers.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 30, 2016
- Source ID
- N000141612890
Entities
People
- Russel E. Caflisch
Organizations
- Office of Naval Research
- United States Navy
- University of California, Los Angeles