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macromolecular dynamics with statistical mechanics, molecular simulation at different resolutions, machine learning, and experimental data. Our group works on the definition and implementation of strategies
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Your Job: The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC
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mechanics (QM / MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach [1,2] for the QM problem. This will be integrated within the in-house MiMiC framework [3] and applied
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Bewerbungsende: 15.09.2025 The AI4Science Group (former Computational Molecular Biology - head: Frank Noé) is an interdisciplinary research unit active in the development of machine learning methods
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Max Planck Institute for Multidisciplinary Sciences, Göttingen | Gottingen, Niedersachsen | Germany | about 3 hours ago
. With more than 40 research groups and some 1,000 employees from over 50 nations, it is the largest institute of the Max Planck Society . The Research Group Computational Biomolecular Dynamics (Prof. Dr
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1,000 employees from over 50 nations, it is the largest institute of the Max Planck Society . The Research Group Computational Biomolecular Dynamics (Prof. Dr. Bert de Groot) is inviting
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-probe photoelectron spectroscopy to identify candidates for excitonic insulators •Doping of the above materials by adsorption of molecular donors and/or acceptors to tune correlation and dynamic response
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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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experience with multiscale modelling of materials - previous experience with molecular dynamics simulations Applications should be sent by e-mail, together with significant documents, indicating the reference
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for Molecular Chemistry” to start as soon as possible. What you will do Literature research and identification of promising use cases for quantum computing in molecular chemistry Simulation of Hamiltonian