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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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experience with multiscale modelling of materials - previous experience with molecular dynamics simulations Applications should be sent by e-mail, together with significant documents, indicating the reference
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-organic frameworks, and their physicochemical properties. State-of-the-art spectroscopy techniques are used to enhance the understanding of interactions at the molecular level. The focus is on diffusion and
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