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Crunching numbers
:atom:
Crunching numbers
112 followers · 3 following

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Achievement: YOLOAchievement: Pair Extraordinairex2Achievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Sharkx2

Achievements

Achievement: YOLOAchievement: Pair Extraordinairex2Achievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Sharkx2

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  1. kinisi-dev/kinisi kinisi-dev/kinisi Public

    A Python package for estimating diffusion properties from molecular dynamics simulations.

    Python 70 12

  2. py-sc-fermi py-sc-fermi Public

    py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation ener…

    Python 28 9

  3. site-analysis site-analysis Public

    Analysing molecular dynamics simulations of crystalline materials using site occupations

    Python 17 4