12 datasets found

Data for reproducing the results in the manuscript "Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der...

Topographical and chemical defects on solid surfaces tend to pin three-phase contact lines of moving liquid drops. Our quantitative understanding of the pinning process is,...

The data that support the findings of the article "Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo...

In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format.

We present a large dataset of density functional theory calculations of thiophene (C4H4S) adsorbed on metallic and bimetallic (100) surfaces performed in Quantum Espresso. In...

We have been studying the interaction between nematic liquid crystals and interfaces. It has been found that a surface that anchors the director in a perpendicular orientation...

We propose to study the formation of lateral features during insulin amyloid formation on polymer substrates using off-specular neutron reflectivity. This will be done by...

We ask for 3 days of beam time on Inter/SURF to study the adsorption and adlayer characteristics of avidin on Ti surfaces, relevant for biomedical applications, such as...

The adsorption of a liquid crystal dopant to a surface can have a significant impact on its properties such as electro-optic response and lubrication. Both the interesting...

There is currly great interest in the use of neutron reflection to study model bilayers. We have produced a model membrane system that is strongly associated with the substrate,...

13 carved busts have ringed the perimeter of the Sheldonian Theatre since 1669. Twice the Heads have been replaced when deteriorated beyond recognition. The second generation...

In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format.