3 papers
cond-mat.mtrl-sci2026
Learning Thermoelectric Transport from Crystal Structures via Multiscale Graph Neural Network
Yuxuan Zeng, Wei Cao, Yijing Zuo +7
Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we…
cond-mat.mtrl-sci2025
Accelerating the Discovery of Materials with Expected Thermal Conductivity via a Synergistic Strategy of DFT and Interpretable Deep Learning
Yuxuan Zeng, Wei Cao, Yijing Zuo +5
Lattice thermal conductivity (LTC) is a critical parameter for thermal transport properties, playing a pivotal role in advancing thermoelectric materials and thermal management tec…
cond-mat.mtrl-sci2025
Accelerating Multi-Objective Collaborative Optimization of Doped Thermoelectric Materials via Artificial Intelligence
Yuxuan Zeng, Wenhao Xie, Wei Cao +4
The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches…