A Novel Mathematical Formulation of Density Functional Theory

Learn about a groundbreaking mathematical framework for density functional theory (DFT) in this 28-minute conference talk by Håkon R. Fredheim from the Gemini Center on Quantum Computing. Explore the novel mathematical formulation developed in collaboration with Simen Kvaal that addresses the theoretical foundations of DFT, widely regarded as the gold standard method for large-scale many-particle quantum chemistry calculations. Discover how this new framework tackles previously open mathematical questions in density functional theory and examine preliminary results that demonstrate its potential applications. Gain insights into advanced quantum chemistry computational methods and understand how mathematical rigor can enhance our understanding of electronic structure theory. Access the accompanying research paper at https://arxiv.org/abs/2510.12242 to delve deeper into the technical details of this innovative approach to one of quantum chemistry's most important computational tools.