Optimal Control Pulses for Electron Paramagnetic Resonance

本项目的目标是开发基于最优控制理论的新型整形脉冲和脉冲序列，以提高EPR实验的性能。复合和整形脉冲是现有核磁共振实验中的基本构件，最近的技术进步使在纳秒时间尺度上整形EPR脉冲成为可能。借助于最优控制方法，可以探索脉冲序列性能的物理极限，并且可以开发出接近这些极限并且对实验缺陷具有所需容差的实用序列。我们将开发优化的幅度和相位调制脉冲，考虑自旋-自旋耦合、弛豫和典型EPR设置的实验限制。除了设计最佳的单个脉冲外，我们还将为PELDOR、DQC、HYSCORE和DNP等实验开发所谓的合作脉冲。另一个焦点将是超精细去耦合序列的开发。此外，我们将开发用于分析复杂脉搏形状的工具，以更好地了解潜在的行动模式。

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.