Electronic Structure Calculations of Chiral Matter - IPAM at UCLA

Explore electronic structure calculations of chiral matter in this 53-minute lecture presented by Amartya Banerjee at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Delve into the unique properties of chiral materials, particularly quasi-one-dimensional nanostructures, and their potential impact on quantum, photonic, and electromagnetic device design. Learn about helical Bloch waves, the reduction of Kohn-Sham Density Functional Theory equations, and various techniques for solving governing equations. Examine results of electromechanical response simulations in 1D nanostructures and discover an interpretable machine learning model for predicting electronic fields in chiral 1D nanostructures, accelerating electronic structure calculations.