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Achievements

Achievement: Pair ExtraordinaireAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

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nterrel/README.md

Computational chemist specializing in machine-learned interatomic potential models

  • ANI developer in the Roitberg Group
    • Predictive uncertainty quantification and analysis
    • Trends in predicted atomic energies and forces
    • Large-scale reactive simulation analysis

Pinned Loading

  1. early_earth_analysis early_earth_analysis Public

    Scripts and files used in the ANI-rx 22.8M atom early earth simulation

    Shell 1