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Genarris : Random generation of molecular crystal structures and fast screening with a Harris approximation

Title data

Li, Xiayue ; Curtis, Farren S. ; Rose, Timothy ; Schober, Christoph ; Vazquez-Mayagoitia, Alvaro ; Reuter, Karsten ; Oberhofer, Harald ; Marom, Noa:
Genarris : Random generation of molecular crystal structures and fast screening with a Harris approximation.
In: The Journal of Chemical Physics. Vol. 148 (2018) Issue 24 . - 241701.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.5014038

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) - Univ.-Prof. Dr. Harald Oberhofer
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics VII - Computational Materials Design (BayBatt)
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 26 Jan 2022 08:05
Last Modified: 06 Jul 2023 12:06
URI: https://eref.uni-bayreuth.de/id/eprint/68484