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    5 repositories

    • ML-GWBSE

      Public
      Python codes to develop ML models using GW-BSE database and applying it with Materials Project data
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Mar 15, 2025Mar 15, 2025

    • CMDLabGuide

      Public
      Welcome to the Computational Materials Design research group! The purpose of this guide is to ease your transition into our research group and help make your time here as productive and enjoyable as possible.
      0•0•0•0•Updated Jan 25, 2025Jan 25, 2025

    • pyGWBSE

      Public
      python workflow for GW-BSE calculation
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •11•28•3•1•Updated Jun 16, 2023Jun 16, 2023

    • Hetero2d

      Public
      Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
      automationdensity-of-statesheterostructurecharge-transfer2d-materialsdft-calculations
      Python
      •
      GNU General Public License v3.0
      •2•13•1•0•Updated May 8, 2023May 8, 2023

    • SSMC

      Public
      Screening code for SSMC project
      Python
      •0•2•0•0•Updated Jun 13, 2020Jun 13, 2020