An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties

• Main Authors: REN ZEKUN, Tian, Siyu Isaac Parker, Noh, Juhwan, Oviedo, Felipe, Xing, Guangzong, JIALI LI, Liang, Qiaohao, Zhu, Ruiming, Armin Gerhard Aberle, Sun, Shijing, WANG XIAONAN, Liu, Yi, Li, Qianxiao, Jayavelu, Senthilnath, Hippalgaonkar, Kedar, Jung, Yousung, Buonassisi, Tonio
• Other Authors: CHEMICAL & BIOMOLECULAR ENGINEERING
• Format: Article
• Published: Cell Press 2021
• Subjects: general inverse design; solid-state materials; invertible crystallographic representation; generalized crystallographic representation; property-structured latent space; variational autoencoder; machine learning; thermoelectrics; generative model
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/211596
• Institution: National University of Singapore

10.1016/j.matt.2021.11.032