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atomistic behaviour and technical aspects, funded by the Federal Ministry for the Environment, Climate Action, Nature Conservation and Nuclear Safety (BMUKN) (subject to funding approval). The project brings
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atomistic resolution. However, many chemically relevant processes involve rare events and activated transitions that occur on timescales inaccessible to conventional molecular dynamics simulations. Overcoming
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, interactomics, structural biology, and imaging datasets into predictive computational frameworks. Application of atomistic simulations, coarse-grained modeling, RNA folding prediction, RNA-protein and RNA-small
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High