THE NATIONAL INSTITUTE OF CHEMISTRY (NIC)

Our research goals push the boundaries of science and create new values. We successfully transfer knowledge to industry and, in the long-term, support the role of science in the development of society.

Role in project: Building upon the inventory of selected (near) commercial membranes, their atom–mesoscale Digital Twin model will be produced by a seamlessly linked density functional theory (DFT)/molecular dynamics (MD) simulations/kinetic Monte Carlo (KMC)/ computational fluid dynamics (CFD) (iteratively).