Multiscale Modelling of Supramolecular Assemblies of Light-Driven Molecular Motors
Molecular “muscle” fibres built from light-driven motors promise controllable, contractile soft materials, yet the underlying molecular mechanisms causing macroscopic motion remain elusive, hindering effective design and tuning. Here, we develop a multiscale simulation workflow that connects atomistic chemistry to supramolecular mechanics across single molecules, fibres, and multi-fibre assemblies
