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cond-mat.mtrl-sci2026
Scalable Dielectric Tensor Predictions for Inorganic Materials using Equivariant Graph Neural Networks
Haowei Hua, Chen Liang, Ding Pan +4
Accurate prediction of dielectric tensors is essential for accelerating the discovery of next-generation inorganic dielectric materials. Existing machine learning approaches, such…
cond-mat.mtrl-sci2025
CRYSIM: Prediction of Symmetric Structures of Large Crystals with GPU-based Ising Machines
Chen Liang, Diptesh Das, Jiang Guo +3
Solving black-box optimization problems with Ising machines is increasingly common in materials science. However, their application to crystal structure prediction (CSP) is still i…