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Field
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Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic descriptors
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-QM methodology on molecule-metal interfaces by simulating surface catalytic reactions and spectroscopy. This project will directly support molecular optoelectronics design and catalyst design research
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principles molecular dynamics simulations. You will contribute to the development of novel work flows as well as to the training, testing and application of latest neural network methodologies. Applications
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. The PhD student will develop, apply, and combine theoretical molecular dynamics (MD) simulations with experimental techniques such as X-ray diffraction (XRD) to characterize, at the molecular level
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barrier in the planned KBS-3 concept for final disposal of spent nuclear fuel. The PhD student will develop, apply, and combine theoretical molecular dynamics (MD) simulations with experimental techniques
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Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg | Magdeburg, Sachsen Anhalt | Germany | 10 days ago
Job Offer from December 01, 2025 The Department of Molecular Simulations and Design (Prof. Dr. Matthias Stein) at the Max Planck Institute for Dynamics of Complex Technical Systems is inviting
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barrier in the planned KBS-3 concept for final disposal of spent nuclear fuel. The PhD student will develop, apply, and combine theoretical molecular dynamics (MD) simulations with experimental techniques
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for the simulation of non-adiabatic exciton transfer dynamics in light-harvesting complexes. The research will use a combination of quantum and molecular dynamics simulations, electronic structure calculations, and
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transfer)- and FLIM (fluorescence life time microscopy)-capable molecular moieties, which enable fluorescence-based real-time monitoring of their cleavage Determine characteristic features of the probes
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simulations Enhanced sampling Molecular Dynamics simulations Your Profile The ideal applicant has a strong background in bioinformatics or computational chemistry, as well as data analysis and solid