HeteroFAM
Open-source codes developed under the DOE-BES project "HeteroFAM: Navigating the Design Space of Heterostructures"
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MLMD-EXAFS
MLMD-EXAFS PublicCompute theoretical EXAFS χ(k) spectra from a crystal structure by sampling thermal and structural disorder with machine-learning interatomic potential (MLIP) molecular dynamics (MD) and computing …
Python
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- MLMD-EXAFS Public
Compute theoretical EXAFS χ(k) spectra from a crystal structure by sampling thermal and structural disorder with machine-learning interatomic potential (MLIP) molecular dynamics (MD) and computing scattering paths with FEFF9.
- Quick-Mag Public
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