FoleyLab/data_repository
Jan 2025 – Jan 2025
1 Month active
Languages Used
JSONPython
Technical Skills
CASSCF CalculationsCavity Quantum ElectrodynamicsComputational ChemistryData AnalysisData ManagementElectronic Structure Theory
Kenny
PROFILE
Kenny
Kampoh developed a dedicated LiH QED-CASSCF workflow and results analysis tooling for the FoleyLab/data_repository, focusing on computational chemistry and quantum electrodynamics applications. Leveraging Python scripting and Jupyter Notebooks, Kampoh implemented a timing-enabled workflow with a new directory structure to streamline CASCI/CASSCF calculations and facilitate reproducible research. The work included robust data parsing and visualization tools for potential energy surface analysis, as well as targeted adjustments to cavity options in QED-FCI scripts to enhance computational stability. This contribution deepened the repository’s capabilities for energy difference assessments and provided a solid foundation for future quantum chemistry research within the team.
Overall Statistics
Feature vs Bugs
100%Features
Repository Contributions
2Total
Bugs
0
Commits
2
Features
1
Lines of code
1,500,532
Activity Months1
Your Network
24 peopleSame Organization
@charlotte.edu10
Work History
January 2025
2 Commits • 1 Features
Jan 1, 2025January 2025 performance summary: Delivered a dedicated LiH QED-CASSCF workflow and results analysis tooling in FoleyLab/data_repository, enabling streamlined computation, parsing, and visualization of CASCI/CASSCF results and PES plotting. Implemented a timing-enabled Python workflow with a new directory structure and results analysis tooling, plus minor adjustments to cavity options in a QED-FCI script to improve stability. These deliverables accelerate research cycles, improve result reproducibility, and expand the team's capability to assess energy differences and potential energy surfaces for LiH in a QED context.
2 Commits • 1 Features
Jan 1, 2025January 2025 performance summary: Delivered a dedicated LiH QED-CASSCF workflow and results analysis tooling in FoleyLab/data_repository, enabling streamlined computation, parsing, and visualization of CASCI/CASSCF results and PES plotting. Implemented a timing-enabled Python workflow with a new directory structure and results analysis tooling, plus minor adjustments to cavity options in a QED-FCI script to improve stability. These deliverables accelerate research cycles, improve result reproducibility, and expand the team's capability to assess energy differences and potential energy surfaces for LiH in a QED context.
January 2025
Activity
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Quality Metrics
Correctness90.0%
Maintainability90.0%
Architecture90.0%
Performance80.0%
AI Usage20.0%
Skills & Technologies
Programming Languages
JSONPython
Technical Skills
CASSCF CalculationsCavity Quantum ElectrodynamicsComputational ChemistryData AnalysisData ManagementElectronic Structure TheoryJupyter NotebooksPython ScriptingQuantum ChemistryScientific Computing
Repositories Contributed To
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