Christopher C Fischer
Publications
Viewing 5 of 5 publications
2011
, , , , , , , and . "A high-throughput infrastructure for density functional theory calculations." Computational Materials Science 50 (2011) 2295–2310.
, , , , , , and . "Formation enthalpies by mixing GGA and GGA+ U calculations." Physical Review B 84.4 (2011).
, , , , and . "Data Mined Ionic Substitutions for the Discovery of New Compounds." Inorganic Chemistry 50 (2011) 656–663.
2010
, , , , , and . "Ab initio screening of metal sorbents for elemental mercury capture in syngas streams." Chemical Engineering Science 65.10 (2010) 3025–3033.
, , , , and . "Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory." Chemistry of Materials 22 (2010) 3762–3767.