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-chemical-physics/ ) led by Prof. Alexandre Tkachenko at the Department of Physics and Material Science, we are looking for a PhD candidate to perform molecular dynamics simulations of different genetic
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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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carried using explicit water molecules relying on molecular dynamics (thermodynamic integration and/or metadynamics). The screening for improved catalysts compared to the state-of-the-art (Pt-Ru) will start
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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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great opportunity to work in a dynamic and collaborative environment within our organization. We invite applications from motivated candidates with passion and a strong interest in conducting research and
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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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and communicate their research clearly and effectively. Preferred Additional Skills: Familiarity with the PyTorch Geometric library. Experience with molecular dynamics simulations or molecular docking
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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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PhD fellowship in Section for molecular ecology and evolution at the Globe Institute, Faculty of Health and Medical Sciences, University of Copenhagen We are offering a PhD fellowship in Population
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), and advanced high-pressure techniques. Experience with vacuum systems, lasers, spectroscopy, or numerical modeling (e.g., plasma or molecular simulations) will be considered an asset. The candidate will