Structure-based multilevel descriptors for high-throughput screening of elastomers

• Main Authors: Deng, Siyan, Chen, Chao, Li, Ke, Chen, Xi, Xia, Kelin, Li, Shuzhou
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2024
• Subjects: Engineering::Materials; Global Structure; High Throughput Screening
• Online Access: https://hdl.handle.net/10356/173355
• Institution: Nanyang Technological University

To discover new materials, high-throughput screening (HTS) with machine learning (ML) requires universally available descriptors that can accurately predict the desired properties. For elastomers, experimental and simulation data in current descriptors may not be available for all candidates of inte...