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.
Highly cited papers
7 of our papers published in 2019-2020 are selected by the Web of Science as ESI highly cited papers (the top 1% highest citations among the entire Materials Science or Chemistry field). We have a total of 22 papers as ESI highly cited papers (over 1/3 of our publications).
Prof. Mo joins the Editorial Board of npj Computational Materials
Prof. Mo is honored to join the Editorial Board of npj Computational Materials, a leading journal in computational materials science.
Students won multiple awards
Congratulations to our student Addie Nolan (MSE Ph.D.) for earning multiple honors: Harry K. Wells Graduate Fellowship (2020), Engie North America Chuck Edwards Memorial Fellowship (2019), Honorable Mention for the National Science Foundation (NSF) Graduate Research Fellowship (2018), and our former undergraduate Alex Epstein (MSE18′, now at UC-Berkeley) for winning NSF Graduate Research Fellowship (2020).
High impact of our research
12 of our papers published in 2015-2018 are selected by the Web of Science as ESI highly cited papers, which receives high citations to place in the top 1% among the entire Materials Science or Chemistry field.
Prof. Mo serves for Advanced Theory and Simulations
Wiley launches a new journal Advanced Theory and Simulations, as a sister journal of Advanced Materials. Prof. Mo is honored to serve on the Editorial Advisory Board.
Recognized research impact
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 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]
Media highlight of our paper about new Li metal stabilization strategies
Our recent paper about using nitride and nitrogen doping to stabilize Li metal anode is highlighted in Advanced Science News and Materials Views China !
DOE Awards to Develop Safer, Better Batteries
Dr. Mo is a part of the UMERC team awarded for developing safer and better Li-ion batteries [UMERC News] [DOE press release]
Our paper featured on the front cover of J. Mater. Chem. A
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.
