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