Optimal Transport Methods in Density Functional Theory (19w5035)


(CNRS & Université Paris Dauphine)

(Vrije Universiteit Amsterdam)

(University of Alberta)


The Banff International Research Station will host the "Optimal Transport Methods in Density Functional Theory" workshop in Banff from January 27, 2019 to February 1, 2019.

Quantum mechanics is a very impressive theory, developed in the beginning of the XX century to describe the microscopic world. Unfortunately, the numerical cost involved to compute approximate solutions of Schrödinger's equation grows extremely fast with the number of particles in the system. Density functional theory, by virtue of its computational efficiency, is the method of choice for the electronic structure calculations. Despite its enormous success, its predictive power is still hampered by inadequate approximations, for instance when dealing with technologically advanced materials and man-made nanostructures.

The purpose of the workshop is to gather mathematicians, chemists and physicists working on the use of optimal transport methods in density functional theory. Optimal transport is a theory which allows to find, for instance, the most efficient way of transporting pastries from bakeries to cafés. It has recently been discovered that this theory also plays an important role in density functional theory. The workshop aims at addressing the full complexity of this new technique, using an interdisciplinary approach.

The workshop is organized with the financial support of the two H2020 ERC Consolidators Grants corr-DFT (Paola Gori Giorgi, Grant No. 648932) and MDFT (Mathieu Lewin, Grant No. 725528).

The Banff International Research Station for Mathematical Innovation and Discovery (BIRS) is a collaborative Canada-US-Mexico venture that provides an environment for creative interaction as well as the exchange of ideas, knowledge, and methods within the Mathematical Sciences, with related disciplines and with industry. The research station is located at The Banff Centre in Alberta and is supported by Canada's Natural Science and Engineering Research Council (NSERC), the U.S. National Science Foundation (NSF), Alberta's Advanced Education and Technology, and Mexico's Consejo Nacional de Ciencia y Tecnología (CONACYT).