Accelerated Newton-Raphson GRAPE methods for optimal control

• DOI: 10.48550/arxiv.2207.09882
• Publication Date: 2022-01-01
• Authors: David L. Goodwin; Pranav Kumar Singh; Mohammadali Foroo...; Mads Sloth Vinding
• Keywords: Hessian matrix; Matrix (chemical analysis)

A Hessian based optimal control method is presented in Liouville space to mitigate previously undesirable polynomial scaling of computation time. This new method, an improvement the state-of-the-art Newton-Raphson GRAPE derived with respect two exact time-propagator derivative techniques: auxiliary matrix and ESCALADE methods. We observed that compared best current implementation for ensemble 2-level systems, realistic conditions, Hessians can be 4-200 70-600 times faster, respectively.