%0 Journal Article %1 grabowski2019initio %A Grabowski, Blazej %A Ikeda, Yuji %A Srinivasan, Prashanth %A Kormann, Fritz %A Freysoldt, Christoph %A Duff, Andrew Ian %A Shapeev, Alexander %A Neugebauer, Joerg %D 2019 %I Springer %J NPJ Computational Materials %K %P 80 %R 10.1038/s41524-019-0218-8 %T Ab initio vibrational free energies including anharmonicity for multicomponent alloys %V 5

@article{grabowski2019initio, added-at = {2023-08-31T16:38:49.000+0200}, affiliation = {Grabowski, B (Reprint Author), Univ Stuttgart, Inst Mat Sci, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Grabowski, Blazej, Univ Stuttgart, Inst Mat Sci, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Ikeda, Yuji; Kormann, Fritz; Freysoldt, Christoph; Neugebauer, Joerg, Max Planck Inst Eisenforsch GmbH, Dept Computat Mat Design, Max Planck Str 1, D-40237 Dusseldorf, Germany. Srinivasan, Prashanth; Kormann, Fritz, Delft Univ Technol, Dept Mat Sci & Engn, Mekelweg 2, NL-2628 CD Delft, Netherlands. Duff, Andrew Ian, Hartree Ctr, STFC Daresbury Lab, Sci Comp Dept, Warrington, Cheshire, England. Shapeev, Alexander, Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia.}, author = {Grabowski, Blazej and Ikeda, Yuji and Srinivasan, Prashanth and Kormann, Fritz and Freysoldt, Christoph and Duff, Andrew Ian and Shapeev, Alexander and Neugebauer, Joerg}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2c9b24625a73fe5065d37b9a887d20c69/puma-wartung}, doi = {10.1038/s41524-019-0218-8}, interhash = {ab5b3f7a3990b98b5d3b997a38a94428}, intrahash = {c9b24625a73fe5065d37b9a887d20c69}, issn = {2057-3960}, journal = {NPJ Computational Materials}, keywords = {}, language = {eng}, pages = 80, publisher = {Springer}, research-areas = {Chemistry; Materials Science}, timestamp = {2023-08-31T14:38:49.000+0200}, title = {Ab initio vibrational free energies including anharmonicity for multicomponent alloys}, unique-id = {ISI:000477762600002}, volume = 5, year = 2019 }