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) transport; • Are familiar with chemical simulation techniques, including but not limited to density functional theory, molecular dynamics, (kinetic) Monte Carlo modeling, finite-element modeling, and multi
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specifically and contributing to related open-source codebases 2. Constructing and disseminating CRN datasets from the prior literature and from atomistic simulations to be used in training, testing, and
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systems, and simulation-driven design, areas that contribute to scientific progress and societal resilience. As part of a university ranked number one in Ireland for Research Quality and among the top 350
Searches related to molecular simulation
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