Software Releases 2023

Hilgers, R. (Corresponding author) ; Wortmann, D. ; Blügel, S.
Workflow, data processing, data analysis and predictive ML scripts used for DFT-integrated machine learning methodology in combination with the FLAPW code FLEUR
Files Fulltext BibTeX | EndNote: XML, Text | RIS

Hilgers, R. (Corresponding author) ; Wortmann, D. ; Blügel, S.
Code collection for machine learning assisted materials screening in the search for novel half-metallic Heusler alloys
Fulltext BibTeX | EndNote: XML, Text | RIS

Hoffmann, M. ; Beida, W. ; Ohs, N. ; Blügel, S.
Maple scripts for the calculation of Hubbard matrices and their subsequent downfolding by Loewdin's partitioning
[10.5281/ZENODO.8060563] BibTeX | EndNote: XML, Text | RIS

Müller, G. P. ; Sallermann, M. ; Mavros, S. ; Rhiem, F. ; Schürhoff, D. ; Hoffmann, M. ; Meyer, I. ; Disselkamp, C. ; Redies, M. ; Buhl, P. ; Suckert, J. R. ; Ivanov, A. V. ; Kiselev, N. S. ; Jónsson, H. ; Blügel, S.
spirit-code/spirit: New Desktop GUI, update to C++14
[10.5281/ZENODO.7746552] BibTeX | EndNote: XML, Text | RIS

Rüßmann, P. (Corresponding author) ; Ribas Sobreviela, J. ; Sallermann, M. ; Hoffmann, M. ; Rhiem, F. ; Blügel, S.
JuDFTteam/aiida-spirit: Version 0.2.1
JuDFTteam/aiida-spirit (2023) [10.5281/ZENODO.8070769]2023 Fulltext BibTeX | EndNote: XML, Text | RIS

Wasmer, J. (Corresponding author) ; Kovacik, R. ; Rüssmann, P.
JuDFTteam/aiida-jutools
[10.5281/ZENODO.10429636] Fulltext BibTeX | EndNote: XML, Text | RIS

Wortmann, D. (Corresponding author) ; Michalicek, G. (Corresponding author) ; Baadji, N. ; Betzinger, M. ; Bihlmayer, G. ; Bröder, J. ; Burnus, T. ; Enkovaara, J. ; Freimuth, F. ; Friedrich, C. ; Gerhorst, C.-R. ; Granberg Cauchi, S. ; Grytsiuk, U. ; Hanke, A. ; Hanke, J.-P. ; Heide, M. ; Heinze, S. ; Hilgers, R. ; Janssen, H. ; Klüppelberg, D. A. ; Kovacik, R. ; Kurz, P. ; Lezaic, M. ; Madsen, G. K. H. ; Mokrousov, Y. ; Neukirchen, A. ; Redies, M. ; Rost, S. ; Schlipf, M. ; Schindlmayr, A. ; Winkelmann, M. ; Blügel, S.
FLEUR
[10.5281/ZENODO.7891361] BibTeX | EndNote: XML, Text | RIS

Last Modified: 04.05.2023