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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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, MD simulation, DFT modeling) Numerical methods in mechanics of materials for fatigue If interested, please send your application materials with the subject line “Postdoc in AM” to Dr. Amir Mostafaei
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Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | about 1 month 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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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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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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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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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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collaboration with colleagues working with DFT tools. Numerical 3D simulations of complex nano-devices using commercial or in-house software. The goal is to obtain realistic profiles of strain and electrostatic
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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