15 citations · 15 across the 3 of their papers we have counts for
4 papers · 1 filter
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 free energies of phases often have to be optimized based on experimentally observ…
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 (…
aLLoyM: A large language model for alloy phase diagram prediction
Yuna Oikawa, Guillaume Deffrennes, Taichi Abe +2
Large Language Models (LLMs) are general-purpose tools with wide-ranging applications, including in materials science. In this work, we introduce aLLoyM, a fine-tuned LLM specifica…
Data-driven study of the enthalpy of mixing in the liquid phase
Guillaume Deffrennes, Bengt Hallstedt, Taichi Abe +5
The enthalpy of mixing in the liquid phase is a thermodynamic property reflecting interactions between elements that is key to predict phase transformations. Widely used models exi…