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Revised MD17 dataset
The original MD17 dataset (http://quantum-machine.org/datasets/#md-datasets) [Chemiela et al. Sci. Adv. 3(5), e1603015, 2017] contains numerical noise. Thus, any numbers... -
The Dynamics of the Molecular Subunit, [Li(NH3)4]+ ¿ Kinetic Energies, Proton...
We request 7 days on VESUVIO to study the molecular crystals 7Li(NH3)4X (X=I, Br, Cl , F) and parent halides, 7LiX (data for 7LiF and 7LiCl already exists). This proposal is...
