MD simulation of a bulk hydrogen phase in contact pseudo-hexagonal montmorillonite nanoparticles.

MD simulation of the electroosmotic drag of H+ in a nafion membrane (protons, water). Such membranes are used in electrochemical hydrogen compressors. The simulations were performed by Dr. Reza Rahbari as a part of our RVO funded project "Hy & Dry", in collaboration with HyET Hydrogen.

MD simulations of CH4 hydrate nucleation: (Top) from organoclay salt solutions in the presence of organic molecules and (Bottom) around a spiral halloysite nanotube. Simulations performed by Fengyi Mi.

MD simulation using the Martini coarse-grained potential showing the merging of an oleosome with a triacylglycerol droplet. The simulations were performed by Benjamin Rosenbaum as part of a collaborative project with the group of Dr. Costas Nikiforidis from WUR.

MD simulation showing the inclusion complexation (reversely) of a beta-Cyclodextrin with caproic acid. The simulation was performed by Dr. Máté Erdös during his PhD.

MD simulation of nanoparticles (blue) diffusing in a gel network (red). Simulations performed by Sebastian Price.

Ab initio MD simulation of water. Simulations performed by Jelle Lagerweij.