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to direct and control interfacial reactions within energy storage materials. In addition, the applicant will be expected to help train new scientists (graduate students, post-BS, and post-docs) with
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emerging functionalities. Develop and train agentic AI tools that can control simulation and/or experiments. Present and report research results and publish in peer-reviewed journals in a timely manner
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-principles electronic structure calculations (e.g. DFT and post-DFT methods) for generating datasets to train AI models leveraging DOE’s HPC platforms Develop new methodologies that can describe both
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