Welcome to the M^3 Group at UMD

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The Mo Materials Modeling (M^3) Group is led by Professor Yifei Mo at the University of Maryland, College Park (UMD). Our research emphasizes the application and development of cutting edge computational techniques to understand, design, and discover advanced materials.  Our group highly values innovations and passion to bridge fundamental scientific inquiries and critical materials problems in high-impact applications. The group collaborates closely with leading experimental research groups at the UMD and across the world.

Our paper in Nature Communications

Our new theoretical study published in Nature Communications revealed the unique mechanism of ultra-fast ion diffusion in super-ionic conductors and proposed a universal strategy that successfully predicted a number of new super-ionic compounds ! This paper is the most viewed article (top 10) of Nature Communications in 2017 . Media coverage [1, 2, 3, 4]