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most citedScalable Dielectric Tensor Predictions for Inorganic Materials using Equivariant Graph Neural Networks

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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…