Van Voorhis group
Code developed by the Van Voorhis group
- 7 followers
- United States of America
- https://vanvoorhisgroup.mit.edu/
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mixed-basis-be
mixed-basis-be Publicmixed-basis bootstrap embedding calculations based on QuEmb
Python 3
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- 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 - troyvvgroup.github.io Public
troyvvgroup/troyvvgroup.github.io’s past year of commit activity - 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 - 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
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