An international collaboration between researchers of the Multifunctional Materials & Composites (MMC) Laboratory at the University of Oxford (Yueting Sun, now at the University of Birmingham, Clive R. Siviour, and prof. Jin-Chong Tan) and the Center for Molecular Modeling (CMM) at Ghent University (dr. Sven M.J. Rogge, Aran Lamaire, dr. Steven Vandenbrande, dr. Jelle Wieme, and prof.