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    20 repositories

    • Group_wiki

      Public
      Guide, tips, tricks
      Python
      •2•1•0•0•Updated Nov 1, 2024Nov 1, 2024

    • Computational_Physics

      Public
      Jupyter Notebook
      •
      MIT License
      •4•1•5•0•Updated Oct 28, 2024Oct 28, 2024

    • seminars

      Public
      0•0•0•0•Updated Sep 30, 2024Sep 30, 2024

    • ChooChoo-Sep-2024

      Public
      Jupyter Notebook
      •
      Creative Commons Attribution Share Alike 4.0 International
      •0•0•0•0•Updated Sep 24, 2024Sep 24, 2024

    • Kabsch_interpolation

      Public
      Code for Kabsch interpolation
      Jupyter Notebook
      •
      MIT License
      •1•1•0•0•Updated May 13, 2024May 13, 2024

    • 2023_BaZrS3_Thermodynamic_Model

      Public
      Supplementary information for "A first-principles model for the Ba-Zr-S system in equilibrium with sulfur vapour".
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Apr 24, 2024Apr 24, 2024

    • singing-materials

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•1•0•Updated Apr 18, 2024Apr 18, 2024

    • rp_generator

      Public
      Script for generating Ruddlesden Popper structures with mixed n.
      Python
      •
      MIT License
      •0•0•0•0•Updated Mar 25, 2024Mar 25, 2024

    • MACsPbI3_defects

      Public
      Data and code release for "Steric Engineering of Point Defects in Lead Halide Perovskites"
      Jupyter Notebook
      •
      MIT License
      •0•0•1•0•Updated Mar 5, 2024Mar 5, 2024

    • ThermoPot

      Public
      Python package for calculating thermodynamic potentials from first-principles calculations
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •4•14•16•0•Updated Dec 22, 2023Dec 22, 2023

    • singing-materials-online

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Dec 18, 2023Dec 18, 2023

    • choochoo-test

      Public
      test for JOSE review
      Jupyter Notebook
      •
      Creative Commons Attribution Share Alike 4.0 International
      •0•0•1•0•Updated Oct 10, 2023Oct 10, 2023

    • singing-materials-app

      Public
      Flask-based web application for Singing Materials project
      Python
      •
      MIT License
      •0•0•1•0•Updated Oct 4, 2023Oct 4, 2023

    • CompPhys

      Public
      Computational Physics Module at Northumbria University - KD5081
      Jupyter Notebook
      •
      Creative Commons Attribution 4.0 International
      •3•1•1•0•Updated Oct 2, 2023Oct 2, 2023

    • phonons_tutorial

      Public
      Ab-initio phonons tutorial for TDEP 2023 at Linkoping
      Shell
      •
      MIT License
      •1•9•0•0•Updated Aug 22, 2023Aug 22, 2023

    • modelling_heat_diffusion

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jun 30, 2023Jun 30, 2023

    • 2022_BaZrS3_High-T_equilibrium

      Public
      Supplementary information for vibrational and thermodynamic analysis of BaZrS3 and competing phases.
      Jupyter Notebook
      •0•2•0•0•Updated Mar 10, 2023Mar 10, 2023

    • BaZrS3-thermodynamic-model

      Public
      Thermodynamic modelling of BaZrS3 phase equilibria
      Python
      •
      GNU General Public License v3.0
      •7•1•0•0•Updated May 10, 2022May 10, 2022

    • ProjectManagement

      Public
      Management of projects along with weekly progress records
      Creative Commons Attribution 4.0 International
      •1•0•0•2•Updated Jan 25, 2022Jan 25, 2022

    • HPC_documentation

      Public
      HPC_documentation
      1•0•0•0•Updated Sep 19, 2021Sep 19, 2021