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@mpourmpakis

Giannis Mpourmpakis

Code Repository for CANELa (Mpourmpakis Lab) at the University of Pittsburgh

Popular repositories Loading

  1. fp_echem fp_echem Public

    Forked from miuev/fp_echem

    first-principles current-potential relationships

    Python 3

  2. ce_expansion ce_expansion Public

    Genetic Algorithm for high-throughput screening of bimetallic nanoparticles.

    Python 2 2

  3. bc_model bc_model Public

    Python 1

  4. tutorial tutorial Public

    GitHub tutorial

    1

  5. molgif molgif Public

    Forked from michael-cowan/molgif

    creates smooth gifs of rotating molecules

    Python 1

  6. nanoparticles_ensembles nanoparticles_ensembles Public

    Forked from raffaelecheula/nanoparticles_ensembles

    Python

Repositories

Showing 10 of 13 repositories
  • EaggModel Public
    mpourmpakis/EaggModel’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 3, 2024
  • EsegAdsModel Public

    Segregation Energy In the Presence of Adsorbate Model

    mpourmpakis/EsegAdsModel’s past year of commit activity
    Python 0 0 0 0 Updated Oct 11, 2023
  • gloab Public Forked from miuev/gloab

    graph laplacians of atoms and bonds

    mpourmpakis/gloab’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Aug 9, 2023
  • NC_Database Public

    The database consists of 430 entries detailing attributes of ligand protected NCs studied by lab members at CANELa.

    mpourmpakis/NC_Database’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 0 0 0 Updated Jun 25, 2023
  • fp_echem Public Forked from miuev/fp_echem

    first-principles current-potential relationships

    mpourmpakis/fp_echem’s past year of commit activity
    Python 3 GPL-3.0 1 0 0 Updated May 24, 2023
  • CANELa_NP Public

    Code developed for the publication Demystifying the Chemical Ordering of Multimetallic Nanoparticles by Dennis Johan Loevlie, Brenno Ferreira, and Giannis Mpourmpakis*.

    mpourmpakis/CANELa_NP’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Feb 23, 2023
  • ce_expansion Public

    Genetic Algorithm for high-throughput screening of bimetallic nanoparticles.

    mpourmpakis/ce_expansion’s past year of commit activity
    Python 2 MIT 2 0 1 Updated Nov 3, 2022
  • molgif Public Forked from michael-cowan/molgif

    creates smooth gifs of rotating molecules

    mpourmpakis/molgif’s past year of commit activity
    Python 0 MIT 2 0 0 Updated Sep 20, 2022
  • canela Public

    python package of CANELa tools to setup, track, and analyze comp chem calculations

    mpourmpakis/canela’s past year of commit activity
    Python 0 6 0 1 Updated Sep 9, 2021
  • BCSeg Public

    BC Model-inspired segregation energy (Eseg) model for single atom alloy (SAA) nanomaterials.

    mpourmpakis/BCSeg’s past year of commit activity
    Python 0 0 0 0 Updated May 21, 2021
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