Quantum Optimal Transport Approach to the Exact 1-Electron Density-Matrix Functional

Explore a lecture by Paul Ayers of McMaster University presenting "A Quantum Optimal Transport Approach to the (Exact) 1-Electron Density-Matrix Functional" at IPAM's Optimal Transport for Density Operators workshop. Recorded on April 1, 2025, this 46-minute talk demonstrates how the exact reduced density matrix functional can be expressed as a regularized quantum optimal transport problem, providing both a mathematical framework and computational platform for exploring the exact functional and its derivative. Discover how this approach remains practical even for strongly-correlated electrons, where density-matrix functional theory may surpass density functional theory, and can be applied to larger molecules than those considered in analogous density-functional problems. The presentation is part of IPAM's Workshop on Optimal Transport for Density Operators: Theory and Numerics.