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Hennig Materials Theory Lab

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  1. VASPsol VASPsol Public

    Solvation model for the plane wave DFT code VASP.

    Fortran 175 86

  2. MPInterfaces MPInterfaces Public

    Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

    Python 76 47

  3. GASP-python GASP-python Public

    Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

    Python 58 31

  4. gasp gasp Public

    Genetic Algorithm for Structure and Phase Prediction

    Java 20 3

  5. electronic-structure-visualization electronic-structure-visualization Public

    Visualizations

    Python 14 6

  6. symbolic-regression-utilities symbolic-regression-utilities Public

    Python 12 6

Repositories

Showing 9 of 9 repositories
  • BEE-NET Public

    Bootstrapped Ensemble of Equivariant Graph Neural Networks (BEE-NET), a machine-learning model trained to predict the Eliashberg spectral function and superconducting critical temperature.

    henniggroup/BEE-NET’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Apr 19, 2026
  • VASPsol Public

    Solvation model for the plane wave DFT code VASP.

    henniggroup/VASPsol’s past year of commit activity
    Fortran 175 86 31 0 Updated Oct 1, 2025
  • BETE-NET Public

    Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function

    henniggroup/BETE-NET’s past year of commit activity
    Jupyter Notebook 9 Apache-2.0 2 1 0 Updated Aug 20, 2024
  • MPInterfaces Public

    Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

    henniggroup/MPInterfaces’s past year of commit activity
    Python 76 MIT 47 8 (1 issue needs help) 2 Updated Feb 3, 2024
  • Getting-Started Public Forked from Djordje117/Getting-Started

    Instructions and exercises for members just joining the Hennig Materials Theory Group at UF

    henniggroup/Getting-Started’s past year of commit activity
    1 6 0 0 Updated Jan 25, 2024
  • GASP-python Public

    Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

    henniggroup/GASP-python’s past year of commit activity
    Python 58 MIT 31 2 0 Updated Sep 25, 2023
  • electronic-structure-visualization Public

    Visualizations

    henniggroup/electronic-structure-visualization’s past year of commit activity
    Python 14 MIT 6 0 0 Updated Jan 10, 2022
  • symbolic-regression-utilities Public
    henniggroup/symbolic-regression-utilities’s past year of commit activity
    Python 12 Apache-2.0 6 0 0 Updated Mar 16, 2021
  • gasp Public

    Genetic Algorithm for Structure and Phase Prediction

    henniggroup/gasp’s past year of commit activity
    Java 20 GPL-3.0 3 0 0 Updated Aug 25, 2016

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