at Google ScholarTitle data
Vondrák, Martin ; Reuter, Karsten ; Margraf, Johannes T.:
q-pac: A Python Package for Machine Learned Charge Equilibration Models.
In: The Journal of Chemical Physics.
Vol. 159
(2023)
.
- 054109.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0156290
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Institutions of the University: | Faculties Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Physical Chemistry V - Theory and Machine Learning Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Physical Chemistry V - Theory and Machine Learning > Chair Physical Chemistry V - Theory and Machine Learning - Univ.-Prof. Dr. Johannes Theo Margraf Research Institutions > Central research institutes > Research Center for AI in Science and Society |
| Result of work at the UBT: | No |
| DDC Subjects: | 500 Science > 540 Chemistry |
| Date Deposited: | 13 Nov 2023 11:57 |
| Last Modified: | 04 Nov 2025 09:55 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/87666 |