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yield optimization. Exposure to quantum chemistry (DFT) and molecular simulations is a plus. Experience with cloud computing and/or high-performance computing (HPC) resources. Application Process
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CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in
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areas of nanoscience and nanotechnology. Job Title: Postdoctoral Researcher (HANAMI) Research area or group: Theory and Simulation Group Description of Group/Project: The Theory and Simulation Group has
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have expertise and experience in executing density functional theory (DFT) calculations, microkinetic modeling, kinetic Monte Carlo simulations, and Machine learning methods. Minimum Qualifications: Must
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Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | 2 days ago
) simulation tools to make qualitative and quantitative predictions of chemistry under vibrational strong coupling in the dark as well as for laser driven setups Investigate the role of symmetry for chemistry
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are seeking a highly motivated candidate to contribute to the development of new catalytic systems through computational simulations and theoretical studies. Main Responsibilities: Perform computational
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data. The topic will require numerical simulations and collaboration with colleagues working with DFT tools. Numerical 3D simulations of complex nano-devices using commercial or in-house software
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deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
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-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
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CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in