Postdoctoral fellow for the Evangelista Lab. Graduate of CCQC, researching Density Cumulant Theory (still a few projects to finish).
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summer-program Public
Forked from CCQC/summer-program
Repository for all summer program related programs
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psi4numpy Public
Forked from psi4/psi4numpy
Combining Psi4 and Numpy for education and development.
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738 contributions in the last year
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May 2022
Created a pull request in psi4/psi4 that received 23 comments
Excited State Final Cleanup
Description This will eventually conclude the standardizing of excited state variable names across all of Psi and the docs. Right now, this just st…
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Opened 3 other pull requests in 1 repository
psi4/psi4
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Reviewed 9 pull requests in 1 repository
psi4/psi4
9 pull requests
- Refactor Recursive Driver Into Distributed Driver, Again
- Excited State Final Cleanup
- Semi-Numerical Exchange
- change default for SAPT0 aux
- Fix TwoBodyAOInt Loops
- FNOCC df Pair Energies
- Move to LibECPInt
- SAPT(DFT) MO disk I/O optimization & Exchange-Dispersion scaling scheme update
- Density Screening Refactor Part 1: test_erisieve.py Rework