Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments.

We showcase the combination of experimental neutron scattering data and molecular dynamics (MD) simulations for exemplary phospholipid membrane systems. Neutron and X-ray reflectometry and small-angle scattering measurements are determined by the scattering length density profile in real space, but it is not usually possible to retrieve this profile unambiguously from the data alone. MD simulations predict these density profiles, but they require experimental control.

Revealing the interfacial nanostructure of a deep eutectic solvent at a solid electrode.

Deep eutectic solvents (DESs) are both green and sustainable, making them an increasingly attractive alternative to conventional solvents. One of their applications is the electrochemical deposition of metals that cannot be deposited from aqueous solution because of the limited electrochemical window of water. The electrodeposition process is influenced by the structure and dynamics of the solvent at the solid-liquid interface.