ArticleActa crystallographica. Section A, Foundations and advances2025
Artificial intelligence in action: building simulation and analysis tools for powder diffraction.
Article in Acta crystallographica. Section A, Foundations and advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
This paper explores the application of generative pre-trained transformer (GPT)-based large language models (LLMs) in the development of simulation and analysis tools for X-ray powder diffraction. We demonstrate how these models enable users with minimal programming experience to generate functional and efficient code through natural language prompts. The discussion highlights both the capabilities and limitations of LLM-assisted coding, offering insights into the practical integration of artificial intelligence for simulating and analysing simple X-ray powder diffraction patterns.
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