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performance. However, calculating defect formation energies and migration barriers using first-principles methods remains a major bottleneck in the materials discovery process. To address this, we will develop
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doctoral studies at Chalmers here . Your role and responsibilities Perform first principles calculations within the Density Functional Theory. Develop adaptive kinetic Monte Carlo models for reaction
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This PhD project aims to advance Safe and Sustainable by Design (SSbD) pharmaceutical manufacturing by integrating cutting-edge methodologies, including computer-assisted retrosynthesis, end-to-end
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important topological structures thought to contain the essence of confinement. This project will use a first-principles approach in which large-scale simulations of QCD are performed on a discretised
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. The successful PhD candidate will collaborate closely as part of an interdisciplinary team consisting of formulation scientists, microbiologists and computer scientists. As a PhD candidate at OsloMet, you will
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measurements, to thoroughly analyse data, to use and/or develop models and to publish in international peer-reviewed journals. Skills in data handling, modelling, databases and also experience in computer
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Start your online nomination or continue your nomination in "My Humboldt" Online nomination Continue nomination Research award for internationally recognised academics working in applied research
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machine learning algorithms and to assess when AI predictions are likely to be correct and when, for example, first principles quantum chemical calculations might be helpful. Predicting chemical reactivity
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machine learning algorithms and to assess when AI predictions are likely to be correct and when, for example, first principles quantum chemical calculations might be helpful. Predicting chemical reactivity
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The National Industry PhD Program is an Australian Government initiative to enhance workforce mobility among graduate researchers, and to promote knowledge transfer between academia and industries