Property-directed generative inverse design of inorganic materials

• Main Author: Yamazaki Shuya
• Other Authors: Kedar Hippalgaonkar
• Format: Final Year Project
• Language: English
• Published: Nanyang Technological University 2024
• Subjects: Chemistry; Computer and Information Science; Physics; AI for materials; Generative design; Crystal generation; Variational autoencoder; Wyckoff symmetry
• Online Access: https://hdl.handle.net/10356/181076
• Institution: Nanyang Technological University

Accelerated materials discovery is urgently demanded to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new functional inorganic materials with multiple desired proper...