Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials

arXiv:2606.00315v1 Announce Type: new Abstract: Modern generative machine learning (ML) models can propose novel inorganic crystalline materials with targeted properties; however, synthesis planning of these materials remains difficult due to the complexity of the associated physical processes and limited availability of computational tools. We introduce a novel hybrid framework to evaluate Large Language Models (LLMs) in inorganic synthesis planning by combining thermodynamic databases with simplified kinetics models to approximate realistic synthesis conditions. As a case study, we focus on

Source: arXiv cs.AI — read the full report at the original publisher.

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