Dynamic Nuclear Polarization

Dynamic Nuclear Polarization#

Dynamic nuclear polarization (DNP) is a powerful method of enhancing signal in NMR by transfering electron polarization to nuclei. However, simulating DNP is not trivial since relaxation is required to achieve polarization buildup on the nuclei (without relaxation, magnetization just oscillates weakly between electron and nucleus). Furthermore, a true Overhauser effect simulation should result from dynamic modulation of interactions between the electron and nucleus, as opposed to just setting the electron-nuclear transfer rates. SLEEPY is therefore powerful in simplifying the setup of these types of simulations.