Density Functional Theory: Fundamentals and Applications in Condensed Matter Physics (11w5121)

Arriving in Banff, Alberta Sunday, January 23 and departing Friday January 28, 2011


(Ecole des Ponts and INRIA)

(University of California, Santa Barbara)

(University of British Columbia)


Density-Functional Theory has had a massive impact in the physics and chemistry communities, as well as the materials science community, due to the possibility of carrying out realistic computations at the quantum level. Further developments in this area require the integration of physical modeling, mathematical analysis, and algorithm development. The very nature of such problems, the need for mathematical rigor, physical correctness, and effective numerical methodologies, requires the participation of an interdisciplinary group.
The main objective of this workshop is to bring together a group of applied mathematicians with training in analysis, nonlinear PDEs, and scientific computing, with physicists and chemists with expertise in quantum-mechanical systems and multiscale modeling. To raise awareness about this topic in the mathematics community, the IMA in Minnesota dedicated a thematic year on Mathematics and Chemistry, and several conferences have been organized at the IPAM at UCLA. Interaction between applied mathematicians and physicists of chemists in these areas have only started recently, but have proved to be quite successful. Examples of this are the collaboration between the groups of Eric Cances and Gustavo Scuseria, and the groups of Weinan E and Roberto Car. We believe that it is therefore timely to organize this workshop, and expect to be able to raise more awareness in the mathematics community, as well as construct a bridge across disciplines, that will allow further progress in this field.

We propose to have approximately 40 participants, with 30 senior scientists and 10 graduate students and postdocs. In addition to research presentations, we plan to have a small number of tutorials and introductory lectures, as well as discussion sections to encourage scientific exchanges among the participants.