Magnetic resonance (MR) is the most specific and at the same time versatile measurement method for chemical, biological or material science characterizations, but mostly requires high material quantities and concentrations. The Collaborative Research Center "Compact High Performance Magnetic Resonance Systems - HyPERiON" aims to challenge conventional concepts along the entire MR signal processing chain in order to improve the sensitivity, resilience and applicability of the method in equal measure. Among other things, miniaturized concepts of MR will be developed in HyPERION.
In magnetic resonance, electromagnetic pulse sequences are used to manipulate nuclear and electron spins in a precise manner. Commercial pulse sequences cannot meet the requirements of miniaturized spectrometer-on-chip devices that will replace the bulky MR consoles in the future. Therefore, accurate pulses and pulse sequences have to be developed to enable new applications of magnetic resonance in the investigation of (bio)chemical reactions in real time in vivo and in vitro. The method of choice is the Optimal Control Theory, which has been used by the group of Prof. Burkhard Luy at IBG-4, a pioneer in this field, to discover fundamental principles of MR pulse shape and sequence design in recent years, including recently pulses for 19F-detected scree-ning of drug candidates.
As part of HyPERION, the Luy group is looking for motivated students who are interested in pursuing a master's and/or doctoral thesis in the area of optimal control theory. The existing algorithm optimizes pulses with the GRAPE approximation using simple steepest descent and conjugate gradient methods and an L-BFGS implementation of a quasi-Newton algorithm.
- Implementation of a second order Newton optimization algorithm in existing code.
- Introduction of exact gradients for the analytical solution of single spin problems
- Parallelization of the code with GPUs
- Development of pulse (tracking) algorithms for ultra-wideband applications in NMR, DNP and EPR with
- systematic investigation of the physical limits of low-energy cooperative pulse sequences and
- development of cooperative pulse elements to compensate for phase and offset related artifacts.
- Development of ultrashort experiments for flow NMR conditions.
Knowledge of quantum mechanics, programming experience, interest in working through a complex topic.
For further questions, please contact PD Dr. Claudia Muhle-Goll (claudia.muhle-goll∂kit.edu).
Bachelor Thesis topics in SS2022:
- DOSY an fluorierten Molekülen (Drug Screening)
- Optimierung selektiver Pulse für Protein-NMR
- Struktur von γ-Sekretase-Substraten
- Metabolomics (Immunzellen)
- Drug screening mit Hyperpolarisation
Anmeldung bis 10.02.22!