Center for Computational Quantum Chemistry
- 35 followers
- Athens, GA
- http://www.ccqc.uga.edu
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summer-program
summer-program PublicRepository for all summer program related programs
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ConcordantModes
ConcordantModes PublicThe Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cost!
Repositories
- PES-Learn Public
Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
CCQC/PES-Learn’s past year of commit activity - CMA_Benchmarker Public
Code which automates Concordant Mode Approach (CMA) benchmarking to support rapid method development.
CCQC/CMA_Benchmarker’s past year of commit activity - ConcordantModes Public
The Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cost!
CCQC/ConcordantModes’s past year of commit activity - Quax Public
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
CCQC/Quax’s past year of commit activity - ccqc.github.io Public
Research group website for Henry F. Schaefer III, director of the Center of Computational Quantum Chemistry, a part of the Department of Chemistry at the University of Georgia.
CCQC/ccqc.github.io’s past year of commit activity
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