Quantum Optimal Transport-Enhanced Reduced Density Matrix Functional Theory for Spin Systems

Reduced Density Matrix Functional Theory (RDMFT) has emerged as a powerful tool for the characterization and prediction of electronic properties in quantum systems. This research project seeks to elevate the capabilities of RDMFT, particularly in the context of spin systems. In particular, we will develop Quantum Optimal Transport techniques for extracting electronic spin information and the incorporation of these techniques into RDMFT calculations. This research project run on pen&paper/theoretical development to implementation of computational algorithms into software packages (QC-Devs). Target applications include magnetic materials, quantum dots, and superconductors.

Faculty Supervisor:

Augusto Gerolin

Student:

Partner:

National University of Kharkiv

Discipline:

Physics

Sector:

Quantum Science

University:

University of Ottawa

Program: