Optimal Control Pulses for Electron Paramagnetic Resonance

本课题的目标是基于最优控制理论开发新的形状脉冲和脉冲序列，以提高EPR实验的性能。复合脉冲和形状脉冲是最先进的核磁共振实验的基本组成部分，最近的技术进步使得在纳秒时间尺度上形成EPR脉冲成为可能。在最优控制方法的帮助下，可以探索脉冲序列性能的物理极限，并可以开发出接近这些极限的实用序列，同时对实验缺陷具有所需的容忍度。我们将开发优化的振幅和相位调制脉冲，将自旋-自旋耦合、弛豫和典型EPR设置的实验限制考虑在内。除了设计最佳的单个脉冲外，我们还将开发所谓的合作脉冲，用于PELDOR， DQC， HYSCORE和DNP等实验。另外一个重点将是超精细解耦序列的发展。此外，我们将开发用于分析复杂脉冲形状的工具，以更好地了解潜在的作用模式。

The goal of this project is the development of new shaped pulses and pulse sequences based on optimal control theory to improve the performance of EPR experiments. Composite and shaped pulses are basic building blocks in state of the art NMR experiments and recent technological advances have made it possible to shape EPR pulses on the nanosecond timescale. With the help of optimal control methods, the physical limits of pulse sequence performance can be explored and practical sequences can be developed that approach these limits with the required tolerance to experimental imperfections. We will develop optimized amplitude- and phase-modulated pulses that take spin-spin couplings, relaxation and experimental limitations of typical EPR settings into account. In addition to the design of optimal individual pulses, we will develop so-called cooperative pulses for experiments such as PELDOR, DQC, HYSCORE and DNP. An additional focus will be the development of hyperfine decoupling sequences. Furthermore, we will develop tools for the analysis of complex pulse shapes to provide a better understanding of the underlying mode of action.