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

6 citations · 8 across the 2 of their papers we have counts for

collaborators

2 papers

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…

cond-mat.mtrl-sci2024★ 2 cited

CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction

Lai Wei, Sadman Sadeed Omee, Rongzhi Dong +6

Crystal structure prediction (CSP) is now increasingly used in discovering novel materials with applications in diverse industries. However, despite decades of developments and sig…