DMI/MEMS Seminar Presented by Asst. Prof. Thomas A.R. Purcell, Ph.D.
Fitzpatrick Center Schiciano Auditorium Side A, room 1464Title: Automating Computational Materials Design with Explainable AI Abstract: High-throughput density functional theory (DFT) calculations have the capability to quickly screen thousands of materials to identify the top candidates for myriad of energy and sustainability applications. However, despite its impressive efficiency relative to experiments, computational screening is still incapable of exploring the entirety of materials […]