Shyue Ping Ong of the University of California, San Diego, will be the featured speaker at an upcoming Department of Physics and Astronomy colloquium. His talk is titled, "Deep Learning Quantum Mechanical Calculations to Design Materials."
Powered by methodological breakthroughs and computing advances, electronic structure methods have today become an indispensable toolkit in the materials designer’s arsenal. Ong will discuss two emerging trends that hold the promise to continue to push the envelope in computational design of materials. The first trend is the development of robust software and data frameworks for the automatic generation, storage and analysis of materials data sets. The second is the advent of reliable central materials data repositories, such as the materials project, which provides the research community with efficient access to large quantities of property information that can be mined for trends or new materials. He will show how we have leveraged on these new tools to accelerate discovery and design in energy and structural materials as well as our efforts in contributing back to the community through further tool or data development.