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20222026
most citedA machine learning-based classification approach for phase diagram prediction

46 citations · 64 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2026

Machine-Learning-Compatible CALPHAD-type Optimization from Phase Equilibria by Auto-differentiation

Wenhao Zhang, Jean-Claude Crivello, Yusuke Matsuoka +2

To accurately determine phase boundaries and phase transitions, thermodynamic models that describe phase free energies often have to be optimized based on experimentally observed p…

cond-mat.mtrl-sci2026

LLM-guided phase diagram construction through high-throughput experimentation

Ryo Tamura, Haruhiko Morito, Yuna Oikawa +7

Constructing phase diagrams for multicomponent alloys requires extensive experimental measurements and is a time-consuming task. Here we investigate whether large language models (…