Nuclear Magnetic Resonance (NMR) has become a major technique throughout health-related research in areas such as the study of the molecular structure of pharmaceuticals, biochemical metabolites, proteins, RNAs and DNAs, and in the fields of in vivo spectroscopy (MRS) and magnetic resonance imaging (MRI). A software package will be produced to simulate the exact mechanisms of the methods used in NMR, the sequences of radiofrequency pulses. By utilizing the most efficient exact analytical solutions of the quantum-mechanical density matrix, these simulations will operate in real time directly on the spectrometers used to conduct NMR experiments. The simulations will show, as a function of time during the pulse sequence, the detail of evolution of the magnetization vectors that can be measured at any time in the sequence and that ultimately produce the NMR signals. The simulations will reveal errors, possibilities for enhanced operation, and entirely new signal pathways. The software package will be used throughout NMR for interactive education, testing and design of improved pulse sequences, and fundamental research into entirely new NMR methods.
The software package will be a valuable addition to all of the 7000+ NMR spectrometers operating around the world. The package will be distributed via licensing agreements with the manufacturers of NMR spectrometers.
