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Zhiwei Yu

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Jul 2026

A Machine-Learning-Accelerated Approach for Room-Temperature Phase Diagram Predictions.

A machine-learning workflow that couples the crystal generator MatterGen with a fine-tuned MatterSim interatomic potential to expand the candidate phase space and compute temperature-dependent phase stability with accuracy approaching density functional theory is reported.

Chen Su, Jie Lu, Yuchen Fu et al. · 0 citations