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Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy ...
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... -
Supplementary material for "GPU-accelerated classical density functional theo...
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... -
Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Bor...
In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format. -
Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Bor...
In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format.
