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Paper · arXiv

Context is all you need: Towards autonomous model-based process design using agentic AI in flowsheet simulations

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet modelling remains largely unexplored. In this work, we present an agentic AI framework that delivers assistance in an industrial flowsheet simulation environment. To this end, we show the capabilities of GitHub Copilot (GitHub, Inc., 2026), when using state-of-the-art LLMs, such as Claude Opus 4.6 (Anthropic, PBC, 2026), to generate valid syntax for our in-house process modelling tool Chemasim using the technical documentation and a few commented examples as c...

AuthorsPascal Schäfer, Lukas J. Krinke, Martin Wlotzka et al.
Primary categorycs.AI
Published13 March 2026
Last updated at source13 March 2026
cs.AI
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