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@mpourmpakis

Giannis Mpourmpakis

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

Popular repositories

  1. fp_echem Public

    Forked from miuev/fp_echem

    first-principles current-potential relationships

    Python 2

  2. ce_expansion Public

    Genetic Algorithm for high-throughput screening of bimetallic nanoparticles.

    Python 1 2

  3. tutorial Public

    GitHub tutorial

    1

  4. bc_model Public

    Python

  5. molgif Public

    Forked from michael-cowan/molgif

    creates smooth gifs of rotating molecules

    Python 1

  6. nanoparticles_ensembles Public

    Forked from raffaelecheula/nanoparticles_ensembles

    Python

Repositories

  • CANELa_NP Public

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

    Python 0 GPL-3.0 0 0 0 Updated Feb 23, 2023
  • ce_expansion Public

    Genetic Algorithm for high-throughput screening of bimetallic nanoparticles.

    Python 1 MIT 2 0 1 Updated Nov 3, 2022
  • molgif Public

    creates smooth gifs of rotating molecules

    Python 0 MIT 2 0 0 Updated Sep 20, 2022
  • fp_echem Public

    first-principles current-potential relationships

    Python 2 1 0 0 Updated Mar 11, 2022
  • canela Public

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

    Python 0 5 0 1 Updated Sep 9, 2021
  • BCSeg Public

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

    Python 0 0 0 0 Updated May 21, 2021
  • nanoparticles_ensembles Public
    Python 0 GPL-3.0 2 0 0 Updated May 1, 2020
  • bc_model Public
    Python 0 Apache-2.0 0 0 0 Updated Apr 25, 2018
  • tutorial Public

    GitHub tutorial

    0 MIT 1 0 0 Updated Jun 29, 2017

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