Computer-driven molecular design combines the principles of chemistry, physics, and artificial intelligence to identify chemical compounds with tailored properties. While quantum-mechanical (QM) ...
Researchers have developed a machine learning model to predict never-before-determined material properties from energy loss near-edge structure (ELNES) and X-ray near-edge structure (XANES) spectra.
image: Researchers from The University of Tokyo Institute of Industrial Science use a machine learning approach to successfully predict material properties that have never before been determined view ...