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chemistry and experience with quantum chemistry packages (e.g., Molpro, NWChem) Strong skills in developing and implementing computational and numerical methods; familiarity with parallel computing on CPU/GPU
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characterization with advanced computational chemistry tools, including molecular dynamics, density functional theory and Grand Canonical Monte Carlo simulations. Position Requirements A recent or soon-to-be
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. This position offers an exciting opportunity to contribute to fundamental and applied research in materials chemistry using advanced computational techniques and artificial intelligence. The project involves: 1
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projects in artificial intelligence, materials engineering, chemistry, and beyond at Argonne National Laboratory. Position Requirements Recently completed PhD within the last 0-5 years in computer
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at conferences and ALCF/DOE venues. Position Requirements Required Skills and Qualifications: Ph.D. in Computer Science, Physics, Chemistry, Biology, Engineering, Mathematics, or a related computational discipline
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Science, Chemistry, Chemical Engineering, Electrical Engineering, Computer Science, Physics, or a related field Demonstrated proficiency in Python and modern ML frameworks (e.g., PyTorch, TensorFlow
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in materials for electrochemistry. While the focus in on computational expertise, this position will involve some experimental work in adapting workflows for automation and artificial intelligence
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of the upgraded APS, leadership-class computing at the Argonne Leadership Computing Facility (ALCF), and state-of-the-art microscopy at the Center for Nanoscale Materials (CNM). Candidates with a strong background
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instrument proposed under a DOE Major Item of Equipment (MIE) effort. Building on two decades of APS XRS capability (including the LERIX program at 20-ID) and recent commissioning work at Sector 25
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science, engineering, computational science, a physical science (materials science, chemistry, physics etc.), or related field. Hands-on experience with AI frameworks and employing large language models. Strong Python