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collide, condense and evaporate. Guided by the results from the field campaigns, a new Microphysics Informed Large-Eddy-Simulation (MiLES) model will be developed. The tested and verified MiLES will be
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predictive MD simulations capable of resolving atomic-scale LCI mechanisms with near-DFT accuracy Investigate how silicon suppresses LCI, including its effects on grain boundary site competition and the
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development of a Density Functional Theory (DFT)-accurate machine-learned interatomic potential (MLIP) for the multi-component steel system of interest. Ultimately, this simulation-driven framework will allow
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Are you eager to perform quantum simulations in a lively, international research group? Do you enjoy creating complex machines that have never existed before? Do you want to explore physics
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Help accelerate the electrification of industry by combining molecular and process-scale simulations for high-temperature thermal energy storage. Job description Carbon-based chemicals are essential
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and validate its accuracy against previous benchmarks for small molecules like PtH. This approach is general and can be directly combined with EOM-CC embedded in point charges, or in periodic DFT
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and validate its accuracy against previous benchmarks for small molecules like PtH. This approach is general and can be directly combined with EOM-CC embedded in point charges, or in periodic DFT
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Help build the model library at the heart of UTOPYS, a new national facility for real-time power system simulations. Job description Future power systems are converter-dominated, fast, and
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lifetimes of spins on surfaces. This approach combines electronic states obtained via a periodic quantum embedding (i.e., equation-of-motion coupled-cluster in periodic DFT, pbcEOM-CC) with a coarse-grained
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problems in bioinformatics. This project is part of the Faculty of Science's new Quantum Simulation for Molecular and Material Design (Q-MMD) programme. You will join a growing interdisciplinary team at