Research subject Multi-scale/Computational modelling

Vi utvecklar flerskaliga modelleringsmetoder som sträcker sig från helt atomistiska ab-initio simuleringar till modellering av mesoskala strukturer som bildas av biologiska makromolekyler och nanopartiklar.

Particular emphasis is given to the interconnection of different levels of modeling, where for example force field for molecular dynamics simulations is parametrized from ab-initio computations, and then further used to parametrize coarse-grained models for mesoscale simulations. The developed methods and associated software is used for modeling and characterization of various  biomolecular and soft-matter systems.