Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md

This is the Materials Simulation Group at the University of Nevada Las Vegas We develop and apply a variety of computational methods, including: atomistic simulation, density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories Loading

  1. PyXtal PyXtal Public

    A code to generate atomic structure with symmetry

    Python 282 69

  2. ComputationalPhysics300 ComputationalPhysics300 Public

    computational physics class taught at UNLV (Phys300)

    Jupyter Notebook 116 123

  3. PyXtal_FF PyXtal_FF Public

    Machine Learning Interatomic Potential Predictions

    Python 87 23

  4. vasprun vasprun Public

    quick analysis of vasp calculation

    Python 35 14

  5. CMS CMS Public

    Some ongoing projects in Zhu's group

    HTML 27 6

  6. AtomisticSimulation AtomisticSimulation Public

    MEGR7090 course in Atomistic Simulation in Materials Modeling

    Python 4

Repositories

Showing 10 of 14 repositories
  • pyocse Public

    Organic Simulation Toolkit

    MaterSim/pyocse’s past year of commit activity
    Python 1 MIT 2 5 0 Updated Jan 4, 2025
  • PyXtal Public

    A code to generate atomic structure with symmetry

    MaterSim/PyXtal’s past year of commit activity
    Python 282 MIT 69 17 0 Updated Dec 12, 2024
  • PyLRO Public

    A code to calculate long range topological order in amorphous/disordered structures.

    MaterSim/PyLRO’s past year of commit activity
    Roff 0 0 0 0 Updated Nov 16, 2024
  • AtomisticSimulation Public

    MEGR7090 course in Atomistic Simulation in Materials Modeling

    MaterSim/AtomisticSimulation’s past year of commit activity
    Python 4 MIT 0 1 0 Updated Nov 12, 2024
  • HTOCSP Public

    A public framework for automated High-throughput Organic Crystal Structure Prediction

    MaterSim/HTOCSP’s past year of commit activity
    Rich Text Format 3 MIT 1 2 0 Updated Nov 8, 2024
  • fix_symmetry Public
    MaterSim/fix_symmetry’s past year of commit activity
    C++ 0 0 0 0 Updated Oct 15, 2024
  • xtal_lego Public
    MaterSim/xtal_lego’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Aug 18, 2024
  • vasprun Public

    quick analysis of vasp calculation

    MaterSim/vasprun’s past year of commit activity
    Python 35 14 3 2 Updated Jun 7, 2024
  • CMS Public

    Some ongoing projects in Zhu's group

    MaterSim/CMS’s past year of commit activity
    HTML 27 6 3 0 Updated Mar 31, 2024
  • PyXtal_FF Public

    Machine Learning Interatomic Potential Predictions

    MaterSim/PyXtal_FF’s past year of commit activity
    Python 87 23 11 1 Updated Feb 15, 2024
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…