Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the...
Curated SPICE 1 OpenFF Dataset: Full dataset, version "full_dataset_v2": This provides a curated hdf5 file for the SPICE 1 OpenFF dataset (Open Force Field initiative default level of theory) design
Data related to our work of "Machine Learning Moment Tensor Potential for Modelling Dislocation and Fracture in L10-TiAl and D019-Ti3Al Alloys" published at https://arxiv.org/abs/2305.11825. The share
