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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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Department of Animal Biosciences The Department of Animal Biosciences (HBIO) at the Swedish University of Agricultural Sciences (SLU) performs research and teaching that spans from molecular and
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Sciences (SLU) performs research and teaching that spans from molecular and cellular mechanisms to the biology and welfare of various animals. Our activities cover a broad spectrum of disciplines, including
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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