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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
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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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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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electronicstructure simulation data (e.g., Molecular Dynamics, Monte Carlo, and Density Functional Theory) generated within the project to create high-quality training and validation datasets. Integrate AI/ML models
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simulations Enhanced sampling Molecular Dynamics simulations Your Profile The ideal applicant has a strong background in bioinformatics or computational chemistry, as well as data analysis and solid
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synthesis and assembly of concrete PCMs. RecyWax+ offers a PhD position for molecular-dynamics simulations of novel PCM systems for thermal storage. Recywax+ is supported within the Dutch Research Council NWO
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-harvesting complexes. The research will use a combination of quantum and molecular dynamics simulations, electronic structure calculations, and machine learning approaches. These are similar to earlier work
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prerequisite (i.e., familiarity with linux, bash, conda, python). Experience in molecular dynamics simulation, protein chemistry or phylogenetics would be major assets. An interest in developing wet lab skills
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! The sensing technologies that are being developed in the Molecular Biosensing group (MBx, see www.tue.nl/mbx ) are unique in the world. The sensors are based on reversible single-molecule interactions