Materials Science Specialized LLM & AI Agent Development [A26-02]

About the role

Overview We will promote the R&D and implementation of a next-generation AI infrastructure to revolutionize materials development by maximizing the use of NIMS’s vast accumulation of materials science data, including scientific papers, experimental data/images, and crystal structures. Specifically, the candidate will be responsible for the continuous pre-training and fine-tuning of LLMs using our proprietary data, and the development of domain-specific tokenizers. Furthermore, leveraging frameworks such as LangChain, LlamaIndex, and AutoGPT, as well as the Model Context Protocol (MCP), you will design and build the architecture for "Autonomous Research AI Agents" that can independently operate and interface with NIMS's existing computational simulators and automated experimental systems. By designing advanced reasoning frameworks using cutting-edge AI technologies such as GraphRAG, along with hybrid AI systems that incorporate physical constraints, we aim to realize a data-driven research platform that dramatically accelerates the speed of materials discovery. For this position, we are seeking individuals who can apply AI technologies with intellectual curiosity toward the domain of materials science, and who find value in implementing the latest technologies from the IT industry into the research field with a proactive mindset. Qualification Deep understanding of Transformer architectures and hands-on experience in implementing and deploying deep learning models using Python and frameworks such as PyTorch or TensorFlow. Technical expertise in Large Language Models (LLMs), with practical experience in Continuous Pre-training, Fine-tuning, and RAG (Retrieval-Augmented Generation). Profound knowledge of software engineering and high-level engineering skills to design and build complex software systems from scratch. How to Apply Submit the specified application documents via e-mail. For more information and to apply, visit: A26-02 https://www.nims.go.jp/eng/employment/data/m4p8m5000000d060.html

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