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) in Chemistry, or other relevant scientific discipline (e.g. Physics, Materials Science). Candidates with experience in ab initio electronic structure methods, scientific programming, or scientific
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general, and specifically on systems with characteristic nanoscale features. They use finite element and ab initio software as numerical tools for modelling and analysis. We are seeking highly qualified and
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: Machine Learning Molecular Dynamics. The project involves the development and application of machine learning methods that enable a major boost of the time and length scales accessible to ab-initio/first
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. Correlating experimental, ab initio and multi-scale simulation as well as machine learning techniques is central to our mission: Development and application of advanced simulation techniques to explore and
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”. In: J. Chem. Phys. 158.3 (2023). [5] : Kästner, J. “Umbrella sampling”. Comp. Mol. Sc., (2011), 1(6), p. 932-942. Techniques/methods in use: Molecular dynamics, Ab-Initio Molecular Dynamics
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Karlsruher Institut für Technologie (KIT) | Karlsruhe, Baden W rttemberg | Germany | about 2 months ago
-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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atomistic simulations, however these suffer from inconsistent accuracy, particularly for fluoride-containing salts and complex mixtures. On the other hand, ab-initio simulations which explicitly handle
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cutting-edge methods in chemical, mechanical, and plasma processing of metal ores for a truly circular economy. Correlating experimental, ab initio and multi-scale simulation as well as machine learning
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. The selected candidate will be involved in the the electrochemical biosensor design based on ab-initio numerical simulations and experimental results interpretation. The position will be part of Plasma Physics
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English. Has a positive attitude. Is able to work independently. Prior experience with molecular simulation, ab-initio, or macroscale modeling is not strictly necessary, nevertheless, will be considered a