Exploration of elastic moduli of molecular crystals via database screening by pretrained neural network potential

This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Takuya Taniguchi Elastic moduli of molecular crystals can be predicted using pretrained neural network potential, showing sufficient agreement with experimental data. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - CrystEngComm latest articles - January 9, 2024 Category: Chemistry Authors: Takuya Taniguchi Source Type: research