Fast Algorithm for the Strong-Interaction Limit of Density Functional Theory
Offered By: Institute for Pure & Applied Mathematics (IPAM) via YouTube
Course Description
Overview
Explore a cutting-edge lecture on a novel algorithm for computing the strong-interaction limit of density functional theory. Delve into the development of the genetic column generation (GenCol) method, which offers a simple, accurate, and highly efficient approach to calculating the limiting XC functional. Discover how this algorithm combines rigorous sparsity of optimal plans, column generation from discrete optimization, and machine learning concepts to overcome computational challenges. Examine the method's performance on benchmark problems and its potential to break the curse of dimensionality in particle systems. Gain insights into the implications of this research for understanding strongly correlated systems and improving future XC functionals in quantum mechanics.
Syllabus
Gero Friesecke - Fast algorithm for the strong-interaction limit of density functional theory
Taught by
Institute for Pure & Applied Mathematics (IPAM)
Related Courses
From Atoms to Materials: Predictive Theory and SimulationsPurdue University via edX Density Functional Theory
École Polytechnique via Coursera Stanford Seminar - Wafer-Scale Thermionic Energy Converters
Stanford University via YouTube A Mathematical Look at Electronic Structure Theory - JuliaCon 2021 Workshop
The Julia Programming Language via YouTube DFTK - A Julian Approach for Simulating Electrons in Solids
The Julia Programming Language via YouTube