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, and quantum information , ultracold quantum gases , Ultrafast Molecular Dynamics , Ultrafast Physical Chemistry , Ultrafast Science , Unconventional and topological superconductivity , X-ray
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dynamics simulations. The project will entail programming (scripting, Python etc.), handling big data and carrying out all-atom and coarse-grained molecular dynamics simulations on high-performance super
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profile: Must-have: MSc or equivalent degree in computational simulations and related fields Theoretical knowledge of Molecular Dynamics and/or Monte Carlo Good English language – spoken and written Nice
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) methods to tackle challenging molecular engineering problems in life sciences and materials design. Situated in the Data Science and AI division, our group advances generative models, molecular simulations
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, molecular biology, and stress signalling. Your main responsibilities will include: characterising peptide-receptor interactions and their downstream effects on cell wall integrity and salt stress responses
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the two leaflets. However, most studies to date have focused on symmetric bilayers. This project addresses this gap by integrating molecular dynamics simulations with experimental techniques such as solid
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during downstream processing. Theoretical investigation of molecule stability during DSP, using molecular interaction simulations such as e.g. Molecular dynamics (MD). Combination of PAT and data driven
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. Predicting proton transfer mechanisms in polymer electrolyte membranes. Investigating structural and dipole dynamics in molecular electrets. Predicting formation processes and reaction mechanisms
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modelling of laser shock peening. Molecular Dynamics (MD) and Finite Element (FE) simulations will be combined to account for the complex physical phenomena and their different scales. The interdependence
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dynamics (MD) simulations represent a powerful tool to study such interfaces, but MD of nanomaterial/liquid interfaces require well-calibrated intermolecular potentials, which don’t currently exist