Simplified DFT methods for consistent structures and energies of large systems
Author:
Funder
Alexander von Humboldt-Stiftung
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://iopscience.iop.org/article/10.1088/1361-648X/aabcfb/pdf
Reference193 articles.
1. The high-throughput highway to computational materials design
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5. Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
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