Development of LLM-based Autonomous Materials Discovery Methods [A26-01]
National Institute for Materials Science (NIMS) · Tsukuba, Ibaraki (JP)
About the role
Overview We are seeking a researcher to lead the development of original "AI-driven materials research methodologies" and their application to innovative materials discovery by integrating cutting-edge technologies, such as Large Language Models (LLMs) and AI agents, with domain expertise in materials science. We expect candidates not only to utilize existing AI tools but to design and develop optimized reasoning engines and autonomous exploration frameworks tailored to solve complex challenges in materials science, thereby establishing new academic frontiers. Our goal is to pioneer a next-generation materials development paradigm where LLMs sophisticatedly orchestrate external and internal tools to derive new materials while verbalizing the underlying scientific reasoning process. We place high value on the ability and passion to complete the entire cycle from the design and synthesis to the verification of specific new materials leveraging self-developed AI methods and NIMS’s world-class, large-scale materials databases, as well as our extensive computational and experimental infrastructure. We welcome applications from researchers who possess the leadership to achieve a true paradigm shift in Materials Informatics by harmonizing "methodological AI development". * Research Environment Support up to 10 million yen depending on the research plan at the time of arrival is available. Qualification Possess a Ph.D. degree or be expected to obtain a Ph.D. by the start date of employment. Be fluent in English for written and oral communication. Academic achievements obtained through your research must be published in internationally recognized journals. In-depth technical understanding of Large Language Models (LLMs) and hands-on experience in developing AI agents. Proficiency in implementing and deploying deep learning models using Python, with a proven track record in open-source software (OSS) or framework development. Having a strong commitment and passion for advancing materials discovery through AI-driven research methodologies. Having a strong willingness to actively engage in collaborative research with other groups. How to Apply Submit the specified application documents via e-mail. For more information and to apply, visit: A26-01 https://www.nims.go.jp/eng/employment/data/kqarbo0000004gau.html
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