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QMC-HAMM

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  1. interlayer_energies_demo interlayer_energies_demo Public

    A demo which allows one to easily access QMC data for interlayer interactions of graphene

    Python 2

  2. qmc-hamm.github.io qmc-hamm.github.io Public

    TeX 1 4

  3. bilayer_tight_binding bilayer_tight_binding Public

    Publication-ready directory for single and bi-layer graphene DFT tight-binding models under lattice deformation.

    Python 1 2

  4. documentation documentation Public

    Here we will collect notes about the infrastructure in the collaboration.

  5. hammio hammio Public

    Useful routines for QMC-HAMM project

    Python 1

  6. workflow workflow Public

    1

Repositories

Showing 10 of 14 repositories
  • M18-hydrogen Public

    M18 MACE model trained on QMC data for use in molecular hydrogen melting calculations

    qmc-hamm/M18-hydrogen’s past year of commit activity
    0 MIT 1 0 1 Updated Jan 28, 2025
  • lammps-workflow Public

    Automated Workflow for LAMMPS Simulations

    qmc-hamm/lammps-workflow’s past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Aug 7, 2024
  • qmc-hamm/qmc-hamm.github.io’s past year of commit activity
    TeX 1 4 0 0 Updated Jul 24, 2024
  • mace Public Forked from ACEsuit/mace

    MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

    qmc-hamm/mace’s past year of commit activity
    Python 0 234 2 1 Updated Apr 26, 2024
  • qmc-hamm/qmc_graphene_stacking_fault’s past year of commit activity
    Python 0 1 0 0 Updated Feb 14, 2024
  • Hydrogen_database Public

    Hydrogen database from QMC and DFT calculations

    qmc-hamm/Hydrogen_database’s past year of commit activity
    0 MIT 0 0 0 Updated Dec 18, 2023
  • qmc_hydrogen Public
    qmc-hamm/qmc_hydrogen’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Nov 13, 2023
  • bilayer_tight_binding Public

    Publication-ready directory for single and bi-layer graphene DFT tight-binding models under lattice deformation.

    qmc-hamm/bilayer_tight_binding’s past year of commit activity
    Python 1 2 1 1 Updated Aug 25, 2023
  • graphene_optimized_geometry Public

    Twisted bilayer graphene structures are optimized by molecular dynamics calculations and density functional theory calculations.

    qmc-hamm/graphene_optimized_geometry’s past year of commit activity
    Python 0 0 0 0 Updated Oct 5, 2022
  • interlayer_energies_demo Public

    A demo which allows one to easily access QMC data for interlayer interactions of graphene

    qmc-hamm/interlayer_energies_demo’s past year of commit activity
    Python 2 MIT 0 0 0 Updated Nov 5, 2021

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