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optimizing these codes for efficient execution on supercomputing facilities. There will be opportunities for training and professional development, both within Durham and in collaboration with other DiRAC
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, to predict MoSS formation, model dopant effects on crystal structures, and identify optimal dopants for tuning host compounds. The project is highly multidisciplinary, linking computational and physical
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to this database, alongside quantum chemistry methods, to predict MoSS formation, model dopant effects on crystal structures, and identify optimal dopants for tuning host compounds. The project is highly
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