Tim Mueller
Publications
Viewing 5 of 5 publications
2008
Ab initio prediction of ordered ground-state structures in ZrO2-Y2O3." Physical Review B 77 (2008).
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A high-throughput infrastructure for density functional theory calculations." Computational Materials Science 50 (2011) 2295–2310.
, , , , , , , and . "Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing." Chemistry of Materials 23.17 (2011) 3854–3862.
, , , and . "2013
Designing Multi-Electron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals." Chemistry of Materials 25.10 (2013) 2064–2074.
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Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory." Chemistry of Materials 22 (2010) 3762–3767.
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