Quantum-Accelerators/quacc
Jan 2025 – Jan 2025
1 Month active
Languages Used
Python
Technical Skills
API DesignComputational ChemistryPythonQuantum ChemistrySoftware DevelopmentTesting
Benjamin X. Shi
PROFILE
Benjamin X. Shi
Developed and integrated an MRCC-based energy calculation feature within the Quantum-Accelerators/quacc repository, focusing on static single-point energy computations for quantum chemistry workflows. The work involved designing APIs and implementing Python modules to handle input and output operations, as well as summarizing computational results for end users. By adding MRCC calculator recipes and integration scaffolding, the developer streamlined the process of running and validating MRCC calculations within the QuAcc library. Emphasis was placed on technical validation, code integration, and robust software development practices, leveraging skills in computational chemistry, quantum chemistry, and testing to ensure reliable and maintainable functionality.
Overall Statistics
Feature vs Bugs
100%Features
Repository Contributions
1Total
Bugs
0
Commits
1
Features
1
Lines of code
1,205
Activity Months1
Your Network
75 peopleWork History
January 2025
1 Commits • 1 Features
Jan 1, 2025January 2025 monthly summary focusing on development work for Quantum-Accelerators/quacc. Delivered feature enabling MRCC-based energy calculations with integrated IO and result summarization; added MRCC calculator recipes to streamline usage; significant technical validation and code integration within the QuAcc library.
1 Commits • 1 Features
Jan 1, 2025January 2025 monthly summary focusing on development work for Quantum-Accelerators/quacc. Delivered feature enabling MRCC-based energy calculations with integrated IO and result summarization; added MRCC calculator recipes to streamline usage; significant technical validation and code integration within the QuAcc library.
January 2025
Activity
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Quality Metrics
Correctness100.0%
Maintainability100.0%
Architecture100.0%
Performance80.0%
AI Usage20.0%
Skills & Technologies
Programming Languages
Python
Technical Skills
API DesignComputational ChemistryPythonQuantum ChemistrySoftware DevelopmentTesting
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