SDSC’s ‘Comet’ Aids in Discovery of New Organometallic Compounds
Selective oxidation plays a key role in the production of compounds widely used throughout the chemical industry. Now, according to a new study using advanced computational resources including SDSC’s Comet supercomputer, these materials and other compounds, such as those used to make polyester resins, could undergo a new catalysis process that uses less energy and generates fewer by-products than current methods.