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based on salt melts. The methods are primarily molecular dynamics simulations and small DFT calculations, but the software COSMO-RS may also be used. The postdoctoral fellow will be part of Prof. Patrik
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– such as taking statutory leave – then these may be taken into consideration. We are looking for someone with very strong knowledge of DFT-based electronic structure and lattice dynamics methods (DFPT and/or
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very strong knowledge of DFT-based electronic structure and lattice dynamics methods (DFPT and/or AIMD-derived phonons), as well as experience in scientific programming and HPC environments. You are
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theoretical modelling of our experimental results to support this work. This includes DFT modelling of absorber-molecule interfaces and calculations of absorption and Auger spectra. This work will be carried
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into cellulose-solvent interactions and fiber formation. The candidate will develop models at different levels, including molecular dynamics, DFT, and mesoscale simulations. This multiscale approach will assist in