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Python and either PyTorch or TensorFlow is required Experience using High-Performance Computers (HPCs) is preferred Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork
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interfaces. Programming and HPC: Strong scripting and data analysis skills; experience with high-performance computing environments and job schedulers. Demonstrated ability to work in multidisciplinary teams
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science, including electronic structure methods molecular dynamics, and scientific machine learning. Experience with High-Performance Computing (HPC) systems and intelligent workflows. Demonstrated
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machine learning models at a world-class high-performance computing facility The candidate will have access to state-of-the-art computing resources, including: NVIDIA DGX-2 Systems: Powerful platforms
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ML surrogate models for electronic structure and electrostatic potential in 2D materials Perform large-scale materials simulations (e.g., DFT, tight-binding, continuum models) to generate training and
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, distributions, and dynamics in metallic, oxide, and semiconducting systems. This project integrates high-throughput and in situ TEM experimentation with AI/ML-driven image analysis and computational modeling
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(MSD), and Quantum Information Science (QIS) programs Disseminate results through high-impact publications and presentations at internal and external meetings Position Requirements Position Requirements