Optimizing EPR pulses for broadband excitation and refocusing

J Magn Reson. 2024 Dec:369:107807. doi: 10.1016/j.jmr.2024.107807. Epub 2024 Nov 19.

Abstract

In this paper, we numerically optimize broadband pulse shapes that maximize Hahn echo amplitudes. Pulses are parameterized as neural networks (NN), nonlinear amplitude limited Fourier series (FS), and discrete time series (DT). These are compared to an optimized choice of the conventional hyperbolic secant (HS) pulse shape. A power constraint is included, as are realistic shape distortions due to power amplifier nonlinearity and the transfer function of the microwave resonator. We find that the NN, FS, and DT parameterizations perform equivalently, offer improvements over the best HS pulses, and contain a large number of equivalent optimal maxima, implying the flexibility to include further constraints or optimization goals in future designs.

Keywords: Broadband pulses; EPR spectroscopy; Hahn echo; Optimal control.