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@troyvvgroup

Van Voorhis group

Code developed by the Van Voorhis group

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  1. quemb quemb Public

    QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.

    Python 12 6

  2. mixed-basis-be mixed-basis-be Public

    mixed-basis bootstrap embedding calculations based on QuEmb

    Python 3

  3. fock_bkrr fock_bkrr Public

    A custom implementation of Kernel Ridge Regression for predicting converged Fock matrices from SAD guesses

    Python 2

  4. troyvvgroup.github.io troyvvgroup.github.io Public

    SCSS 1

  5. qd_ml qd_ml Public

    A collection of classifiers trained on DFT calculations to predict structural trap sites in quantum dots

    Python 1

Repositories

Showing 5 of 5 repositories
  • quemb Public

    QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.

    troyvvgroup/quemb’s past year of commit activity
    Python 12 Apache-2.0 6 41 (1 issue needs help) 16 Updated Apr 8, 2026
  • troyvvgroup/troyvvgroup.github.io’s past year of commit activity
    SCSS 1 MIT 0 0 0 Updated Mar 27, 2026
  • fock_bkrr Public

    A custom implementation of Kernel Ridge Regression for predicting converged Fock matrices from SAD guesses

    troyvvgroup/fock_bkrr’s past year of commit activity
    Python 2 0 0 0 Updated Jun 24, 2025
  • qd_ml Public

    A collection of classifiers trained on DFT calculations to predict structural trap sites in quantum dots

    troyvvgroup/qd_ml’s past year of commit activity
    Python 1 0 0 0 Updated May 29, 2025
  • mixed-basis-be Public

    mixed-basis bootstrap embedding calculations based on QuEmb

    troyvvgroup/mixed-basis-be’s past year of commit activity
    Python 3 0 1 0 Updated Apr 16, 2025

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