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
Contributed to the kelseymh/G4CMP repository by expanding CrystalMaps with new phonon-property configurations for Alpha-Quartz and Amorphous SiO2, enhancing the material database for simulation and analysis workflows. Developed and documented a comprehensive tutorial for phonon density of states and band structure calculations, integrating Quantum ESPRESSO and Phonopy with Python scripting for post-processing and visualization. Focused on improving reproducibility and onboarding by updating documentation and providing end-to-end workflow guidance. Work demonstrated depth in computational physics, materials science, and scientific computing, emphasizing traceability, model coverage, and practical onboarding resources without prioritizing bug fixes during the two-month contribution period.
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
27 peopleSame Organization
@mines.edu3
Shared Repositories
24
David SadekMember
David SadekMember
David SadekMember
David SadekMember
David SadekMember
David SadekMember
David SadekMember
David SadekMember
David SadekMember
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
Repositories Contributed To
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