Accelerating materials discovery using integrated deep machine learning approaches - Xia, Weiyi; Tang, Ling; Sun, Huaijun; Zhang, Chao; Ho, Kai-Ming; Viswanathan, Gayatri; Kovnir, Kirill; Wang, Cai-Zhuang (Journal of materials chemistry. A, Materials for energy and sustainability, 2023)
Keywords: Artificial neural networks; Convexity; Energy of formation; First principles; Free energy; Genetic algorithms; Graph neural networks; Heat of formation; Learning algorithms; Machine learning; Material properties; MATERIALS SCIENCE; Neural networks; Ternary systems