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20212026
most citedHigh-throughput discovery of novel cubic crystal materials using deep generative neural networks

146 citations · 164 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 6 cited

Accelerating Discovery of Extreme Lattice Thermal Conductivity by Crystal Attention Graph Neural Network (CATGNN) Using Chemical Bonding Intuitive Descriptors

Mohammed Al-Fahdi, Riccardo Rurali, Jianjun Hu +2

Designing materials with targeted lattice thermal conductivity (LTC) demands electronic-level insight into chemical bonding. We introduce two bonding descriptors, namely normalized…