Materials
informatics - selected publications
Origins of hole traps in
hydrogenated nanocrystalline and amorphous silicon revealed
through machine learning
Tim Mueller, Eric Johlin, and
Jeffrey C. Grossman
Physical Review B 89,
115202 (2014)
Evaluation of Tavorite-Structured
Cathode Materials for Lithium-Ion Batteries Using High-Throughput
Computing
Tim Mueller, Geoffroy Hautier,
Anubhav Jain, and Gerbrand Ceder
Chemistry of Materials 23,
3854 (2011)
A High-Throughput Infrastructure for
Density Functional Theory Calculations
Anubhav Jain, Geoffroy Hautier,
Charles J. Moore, Shyue Ping Ong, Christopher C. Fischer, Tim
Mueller, Kristin A. Persson, and Gerbrand Ceder
Computational Materials Science 50,
2295 (2011)