qmc-hamm Goto Github PK
Name: QMC-HAMM
Type: Organization
Location: United States of America
QMC-HAMM's Projects
bilayer_tight_binding
Publication-ready directory for single and bi-layer graphene DFT tight-binding models under lattice deformation.
data-catalog
documentation
Here we will collect notes about the infrastructure in the collaboration.
graphene_optimized_geometry
Twisted bilayer graphene structures are optimized by molecular dynamics calculations and density functional theory calculations.
hammio
Useful routines for QMC-HAMM project
hydrogen_database
Hydrogen database from QMC and DFT calculations
interlayer_energies_demo
A demo which allows one to easily access QMC data for interlayer interactions of graphene
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
qmc-hamm.github.io
qmc_graphene_stacking_fault
qmc_hydrogen
workflow
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