Nanostructured Material Design via a Retrieval-Augmented Generation (RAG) Approach: Bridging Laboratory Practice and Scientific Literature.

Abstract

The increasing complexity in designing nanostructured materials for electronics, biomedicine, and energy applications requires advanced computational methods to enhance research efficiency and minimize experimental costs. This study proposes an innovative agent-based retrieval-augmented generation (RAG) system integrated with large language models (LLMs) to automate the extraction and analysis of scientific information from extensive literature databases, specifically targeting nanostructured materials developed via two-photon polymerization (2PP). In addition to extracting and analyzing scientific data, our approach emphasizes understanding how these nanostructured materials interact with cells, which is crucial for controlling their application in biomedicine. The developed platform demonstrates robust semantic accuracy (cosine similarity: 0.82) and high overall task precision (0.81), significantly reducing the likelihood of misinformation by incorporating dynamic query refinement mechanisms. The intuitive, user-friendly interface facilitates quick access to relevant scientific data, thereby improving researchers' productivity and enabling more accurate experimental planning. Although the system exhibits certain limitations regarding domain-specific terminology coverage, further fine-tuning and specialized training are anticipated to enhance its performance and reliability for advanced scientific applications.