Skip to content
@PhasesResearchLab

Phases Research Lab

Research group lead by Dr. Zi-Kui Liu at The Pennsylvania State University.

Pinned

  1. ESPEI ESPEI Public

    Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

    Python 58 32

  2. ESPEI-datasets ESPEI-datasets Public

    Datasets to be used by ESPEI. CC-BY-4.0

    TeX 12 17

  3. dfttk dfttk Public

    Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

    Python 14 13

  4. pySIPFENN pySIPFENN Public

    Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, …

    Python 16 3

  5. ULTERA-contribute ULTERA-contribute Public

    A template repository for contributing to the ULTERA Database. Simply (1) fork it, (2) fill out the template, and (3) let us know the link.

    Python 3 7

  6. PyQAlloy PyQAlloy Public

    PyQAlloy: Python tools for ensuring the Quality of Alloys data

    Python 2

Repositories

Showing 10 of 28 repositories
  • MHDB Public

    MHDB is a comprehensive suite designed to facilitate thermodynamic calculations and provide shared access to thermodynamic databases related to Metal Hydrides for H2 storage.

    Jupyter Notebook 3 MIT 1 1 0 Updated May 2, 2024
  • PublicationsList Public
    HTML 2 CC0-1.0 0 0 0 Updated Apr 29, 2024
  • pySIPFENN Public

    Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.

    Python 16 3 1 0 Updated Apr 26, 2024
  • MaterialsMap Public

    MaterialsMap is Python package for mapping properties, manufacturing feasibility, and desirability. We focus on guiding materials design graphically while proving API to underlying methods.

    Python 3 MIT 1 9 (1 issue needs help) 0 Updated Apr 24, 2024
  • SoftwareProjects Public

    An index of all software our group members are working on! Deploys a website at:

    Ruby 4 CC0-1.0 3 0 3 Updated Mar 19, 2024
  • PyQAlloy Public

    PyQAlloy: Python tools for ensuring the Quality of Alloys data

    Python 2 MIT 0 0 0 Updated Mar 8, 2024
  • ESPEI Public

    Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

    Python 58 MIT 32 24 1 Updated Mar 5, 2024
  • ZentropyChapter Public

    Staging repository for contributions on Zentropy to the upcoming MGF Open Textbook on Thermodynamics

    2 0 0 0 Updated Feb 16, 2024
  • dfttk Public

    Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

    Python 14 MIT 13 3 2 Updated Nov 17, 2023
  • ClassResources Public Forked from PhasesResearchLab/SoftwareProjects

    An index of all class resources our group members are involved in! Deploys a website at:

    Ruby 0 CC0-1.0 3 0 0 Updated Nov 13, 2023
View all repositories

Top languages

Loading…

Most used topics

Loading…