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10 followers · 11 following

Achievements

Achievement: Pull SharkAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull SharkAchievement: Arctic Code Vault Contributor

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@VlachosGroup

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mosaleheen/README.md

Hi there, I am a catalysis researcher, here to learn to code.

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  1. bin bin Public

    A combination of scripts and executables for running atomistic simulations and analyzing results.

    Fortran

  2. python python Public

    Learning algorithms and data science tools in python.

    Jupyter Notebook

  3. chemical_looping chemical_looping Public

    Utility scripts for DFT calculations employed for chemical looping project

    Shell 1

  4. materials_project materials_project Public

    Mono-metal oxides data queried from materials project

    Jupyter Notebook

  5. automate_solvation automate_solvation Public

    Automating the file generation for QM/MM solvation calculation

    Python

  6. free_energy_calculations free_energy_calculations Public

    A repository of scripts for free energy calculations in vapor and condensed phases

    Fortran 1