MSE Seminar Series: Tim Mueller
Friday, May 3, 2013
1:00 p.m.-2:00 p.m.
Room 2110 Chemical and Nuclear Engineering Bldg.
Computational Materials Discovery and Design
Materials Science and Engineering
Johns Hopkins University
Given the exponential growth in the affordability and availability of computational power, one of the most promising ways to rapidly develop new material-based technologies is through applied computational research. It is now feasible to use high-throughput computing to calculate relevant properties for hundreds of thousands of materials, creating a store of data can be analyzed to predict thermodynamic stability, identify promising materials, and extract trends that enable rational materials design. High-throughput computational screening can be used to eliminate materials that are unlikely to have a desired set of properties, enabling synthesis and characterization efforts to be focused on candidate materials that are most likely to be successful for a particular application. Drawing on examples from lithium ion batteries and other energy technologies, I will demonstrate how computational research enables a better understanding of experimental data and accelerates the identification of promising new materials.