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.
11 of our papers (by 2017) are selected by the Web of Science as highly cited paper, which receives high citations to place in the top 1% among the entire Materials Science (or Chemistry) field. These are about 1/3 of all our papers published (by 2017).
Six of our papers published in 2015-2016 are selected by the Web of Science Essential Science Indicator (ESI) as highly cited paper, which receives high citations to place in the top 1% among the entire Materials Science (or Chemistry) field.
Our ACS Appl. Mater. Interface paper is the most read article of the journal in the past 12 month (top 3 among >20,000).
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]
Our paper about interfaces in all-solid-state Li-ion batteries is featured on the front cover of Journal of Materials Chemistry A. This paper is selected into 2016 Hot Paper and is one of the most cited original research article of the journal in 2016.
The Maryland Advanced Research Computing Center (MARCC) is launched. The new supercomputer setup includes more than 19,000 processors and 17 petabytes of storage capacity. This is a great addition to our resources at Deepthought clusters. [News]
UMD is awarded by the ASM education foundation for a suite of computational materials software Materials Genome Toolkit to enhance undergraduate Materials Science and Engineering education. Dr. Mo will advise and coordinate the faculty team for the undergraduate curriculum implementation. [UMD News] [ASM announcement]