Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models (2022)
Attributed to:
Boundary Conditions for Atomistic Simulation of Material Defects
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1038/s41524-022-00843-2
Publication URI: http://dx.doi.org/10.1038/s41524-022-00843-2
Type: Journal Article/Review
Parent Publication: npj Computational Materials
Issue: 1