Materials Design by Integrated Computational Materials Engineering (ICME) and AI

C. Niu, A. Saboo, Y. Lin, S. Sorkin, P. Lu, J. Gong
QuesTek Innovations LLC,
United States

Keywords: ICME, materials design, machine learning, uncertainty quantification


The U.S. Materials Genome Initiative (MGI) highlights the benefits of an Integrated Computational Materials Engineering (ICME) approach to develop new materials. As a global leader in the application of ICME, QuesTek focus on rapidly designing and developing materials from a conceptual need through production insertion by combining advanced computational technology and stage-gate design and development process with additional applied skills, resources and expertise. In recent years, QuesTek has been practicing the combination of ICME and Artificial Intelligence (AI) technologies for enhanced materials design, and this presentation will introduce several AI-relevant efforts by QuesTek in data-driven design workflows and discuss how AI can help computer-aided materials design under the ICME framework.