kelseymh/G4CMP
Apr 2025 – Aug 2025
2 Months active
Languages Used
MarkdownTextPythonShellYAML
Technical Skills
Computational PhysicsDocumentationMaterials ScienceData VisualizationPhonopyPython Scripting
Caitlyn Stone-Whitehead
PROFILE
Caitlyn Stone-whitehead
C. Stone Whitehead contributed to the kelseymh/G4CMP repository by expanding its materials simulation capabilities and improving user onboarding. Over two months, they added phonon-property configurations for Alpha-Quartz and Amorphous SiO2, broadening the CrystalMaps material database for computational physics analysis. They also developed a detailed tutorial for phonon density of states and band structure workflows, integrating Quantum ESPRESSO and Phonopy with Python scripting for post-processing and data visualization. Their work emphasized reproducibility and documentation, updating materials tables and onboarding guides. The depth of their contributions lies in both technical implementation and the clarity provided for future users and collaborators.
Overall Statistics
Feature vs Bugs
100%Features
Repository Contributions
3Total
Bugs
0
Commits
3
Features
2
Lines of code
25,048
Activity Months2
Your Network
19 people
Work History
August 2025
1 Commits • 1 Features
Aug 1, 2025August 2025 monthly summary for kelseymh/G4CMP: Delivered a comprehensive Phonon DOS and phonon band structure tutorial (QE/Phonopy), including setup guidance, QE SCF workflow, Phonopy integration for atomic forces and phonon calculations, and post-processing steps to enable extracting and plotting mode-dependent DOS contributions in G4CMP. This work enhances reproducibility and onboarding for phonon-related workflows.
1 Commits • 1 Features
Aug 1, 2025August 2025 monthly summary for kelseymh/G4CMP: Delivered a comprehensive Phonon DOS and phonon band structure tutorial (QE/Phonopy), including setup guidance, QE SCF workflow, Phonopy integration for atomic forces and phonon calculations, and post-processing steps to enable extracting and plotting mode-dependent DOS contributions in G4CMP. This work enhances reproducibility and onboarding for phonon-related workflows.
August 2025
April 2025
2 Commits • 1 Features
Apr 1, 2025April 2025: Delivered CrystalMaps enhancements by adding phonon-property configurations for Alpha-Quartz and Amorphous SiO2, expanding the material database used for simulations and analysis. Implemented documentation updates to reflect silica materials in the materials table. No major bugs fixed this month; focus was on feature delivery, traceability, and improving model coverage.
April 2025
2 Commits • 1 Features
Apr 1, 2025April 2025: Delivered CrystalMaps enhancements by adding phonon-property configurations for Alpha-Quartz and Amorphous SiO2, expanding the material database used for simulations and analysis. Implemented documentation updates to reflect silica materials in the materials table. No major bugs fixed this month; focus was on feature delivery, traceability, and improving model coverage.
Activity
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Quality Metrics
Correctness100.0%
Maintainability100.0%
Architecture100.0%
Performance93.4%
AI Usage20.0%
Skills & Technologies
Programming Languages
MarkdownPythonShellTextYAML
Technical Skills
Computational PhysicsData VisualizationDocumentationMaterials SciencePhonopyPython ScriptingQuantum ESPRESSOScientific Computing
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