{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Kastuar SM"],"funding":["Key Research Scheme of Henan Universities","Lehigh University"],"pagination":["3776"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8904584"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["12(1)"],"pubmed_abstract":["An efficient automated toolkit for predicting the mechanical properties of materials can accelerate new materials design and discovery; this process often involves screening large configurational space in high-throughput calculations. Herein, we present the ElasTool toolkit for these applications. In particular, we use the ElasTool to study diversity of 2D materials and heterostructures including their temperature-dependent mechanical properties, and developed a machine learning algorithm for exploring predicted properties."],"journal":["Scientific reports"],"pubmed_title":["Efficient prediction of temperature-dependent elastic and mechanical properties of 2D materials."],"pmcid":["PMC8904584"],"funding_grant_id":["Lee graduate fellowship","18A140024"],"pubmed_authors":["Ekuma CE","Kastuar SM","Liu Z-"],"additional_accession":[]},"is_claimable":false,"name":"Efficient prediction of temperature-dependent elastic and mechanical properties of 2D materials.","description":"An efficient automated toolkit for predicting the mechanical properties of materials can accelerate new materials design and discovery; this process often involves screening large configurational space in high-throughput calculations. Herein, we present the ElasTool toolkit for these applications. In particular, we use the ElasTool to study diversity of 2D materials and heterostructures including their temperature-dependent mechanical properties, and developed a machine learning algorithm for exploring predicted properties.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Mar","modification":"2025-04-04T23:34:22.644Z","creation":"2025-04-04T23:34:22.644Z"},"accession":"S-EPMC8904584","cross_references":{"pubmed":["35260681"],"doi":["10.1038/s41598-022-07819-8"]}}