Information Technology
OPTIMIZATION SYSTEMS AND METHODS BASED ON SIMULATED NUCLEAR MAGNETIC RESONANCE (NMR) SPECTRA
WARF: P260147US01
Inventors: Matthew Otten, Aikaterini Gratsea
The Invention
UW-Inventors have developed computational methods for providing clear NMR spectra for large molecules from low-end NMR data. The method provides an optimization calculation that can run on modern GPUs and on future fault-tolerant quantum computer. It calculates clear NMR peaks from messy FID data. The calculation provides simulation of high-field nuclear magnetic resonance (NMR) spectra of large molecules that could replace the experimental use of NMR devices that are expensive and hard to use.