#graph neural networks
Sep 2026
Cross-Property Transfer Learning and Generative Crystal Design for Accelerated Discovery of Low-Thermal-Conductivity Materials.
Identifying crystalline materials with intrinsically low lattice thermal conductivity (κL) remains a major challenge in thermoelectric design due to complex phonon transport mechanisms and the limited availability of high-quality datasets. Although first-principles methods provide accurate κL predictions, their high co...
Harpriya Minhas, Rahul Kumar Sharma, Biswarup Pathak
· ACS Applied Materials and In... · 0 citations