QMC-HAMM

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/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.