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”. In: J. Chem. Phys. 158.3 (2023). [5] : Kästner, J. “Umbrella sampling”. Comp. Mol. Sc., (2011), 1(6), p. 932-942. Techniques/methods in use: Molecular dynamics, Ab-Initio Molecular Dynamics
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software packages. The Person Knowledge, Skills and Experience Expertise in classical molecular mechanics. Knowledge of biomolecular simulation methods. Experience in quantum mechanical calculations
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derived from paramagnetic ions, as well as the modelling of molecular diffusion processes through membranes, by means of molecular dynamics studies. Different parameters that will affect the relaxivity
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English. Has a positive attitude. Is able to work independently. Prior experience with molecular simulation, ab-initio, or macroscale modeling is not strictly necessary, nevertheless, will be considered a
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modeling molecular dynamics using our trapped Rydberg ion technology. This position is part of the ERC Synergy project "Open 2D Quantum Simulator (OPEN-2QS)", which start on 1 May 2025. The OPEN-2QS project
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the reach of traditional molecular simulations. Therefore, this project will apply adaptive kinetic Monte Carlo simulations to model zeolite formation as a dynamic network of growing and dissolving clusters
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cell-to-extracellular matrix (ECM) interactions establish signaling pathways that are critical for specific cell functions. Within this dynamic environment, a variety of external forces (including
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scattering with computer modelling such as molecular dynamics simulations and AI-assisted data mining. The new technical capabilities will help bridge the current gap in biocide development, i.e., to link
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the simulation and study of phenomena such as novel states of matter like quantum glasses, molecular dynamics and quantum thermodynamics. The PhD project is primarily experimental and will be carried out within
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similar languages) Experience with large-scale neural network simulations Experience with analysing large-scale neural recordings Familiarity with neuroanatomy and neurophysiology Knowledge of dynamical