Breakthrough algorithm expands the exploration space for materials by orders of magnitude

Nanoengineers at the University of California San Diego's Jacobs School of Engineering have developed an AI algorithm that predicts the structure and dynamic properties of any material--whether existing or new--almost instantaneously. Known as M3GNet, the algorithm was used to develop matterverse.ai, The project is explored in the Nov. 28 issue of the journal Nature Computational Science. The properties of a material are determined by the arrangement of its atoms. However, existing approaches to obtain that arrangement are either prohibitively expensive or ineffective for many elements.