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to study chemical transformations in materials. 2. Artificial Intelligence Applications: - Leveraging conventional machine learning techniques for materials property prediction and Bayesian approaches
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beyond the Standard Model, including effective field theories and perturbative QCD, phenomenology at current and future colliders, as well as emerging areas in Artificial Intelligence, Machine Learning
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an integrated framework to explore advanced workloads including simulations with in-situ visualization and, possibly, machine learning integration. This work will inform future ALCF platform procurement decisions
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on developing machine-learning surrogates for electronic structure and electrostatic potential and using these models to predict structural and electronic evolution under applied bias. Methods may include density
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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