211 citations · 705 across the 31 of their papers we have counts for
3 papers · 2 filters
NOMAD 2018 Kaggle Competition: Solving Materials Science Challenges Through Crowd Sourcing
Christopher Sutton, Luca M. Ghiringhelli, Takenori Yamamoto +7
Machine learning (ML) is increasingly used in the field of materials science, where statistical estimates of computed properties are employed to rapidly examine the chemical space…
Electronic structure based descriptor for characterizing local atomic environments
Jan Jenke, Aparna P. A. Subramanyam, Marc Densow +3
A quantitative descriptor of local atomic environments is often required for the analysis of atomistic data. Descriptors of the local atomic environment ideally provide physically…
{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials
Johannes J. Möller, Matous Mrovec, Ivan Bleskov +6
Large-scale atomistic simulations with classical potentials can provide valuable insights into microscopic deformation mechanisms and defect-defect interactions in materials. Unfor…