The Sherrill research group develops the open-source quantum chemistry program Psi4 along with our collaborators
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Georgia Tech Chemistry
- Atlanta, GA
- http://vergil.chemistry.gatech.edu/index.html
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dftoptbench-si
dftoptbench-si PublicAdditional materials for "Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes"
Jupyter Notebook 1
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