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experiments, mapping charge and energy transfer in molecular (and mesoscopic) systems, behavior of molecules in strong fields, dynamics of open quantum systems, and more. This project offers an excellent
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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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. 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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and Metabolic Medicine (LICAMM), a centre of excellence that integrates molecular, cellular, and clinical approaches to tackle major health challenges. University of Bern(Prof. Dominik Obrist
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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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and Metabolic Medicine (LICAMM), a centre of excellence that integrates molecular, cellular, and clinical approaches to tackle major health challenges. University of Bern (Prof. Dominik Obrist
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complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
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programming and scientific computing Prior experience or coursework in density functional theory, molecular dynamics, or machine learning is advantageous Effective communication skills in English Interest in
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-based methodologies for protein structure prediction and conformational ensamble • Molecular docking and cofolding • Molecular Dynamics simulations • Enhanced sampling Molecular Dynamics simulations Your
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, and play an important part in accelerating the progression towards net zero in the UK and globally. In this PhD project, the student will lead on computational methods, including molecular dynamics (MD