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Yair Litman

PROFILE

Yair Litman

Developed and integrated instanton rate calculation support into the lab-cosmo/atomistic-cookbook repository, enabling researchers to compute tunneling and reaction rates within the i-PI simulation framework. The work involved implementing numerical methods in Python to facilitate instanton-based simulations, with a focus on scientific computing and data analysis. Enhanced the repository by adding new configuration files and detailed examples, streamlining the process for users to perform tunneling-rate calculations. Updated documentation and input files to improve accessibility and adoption for scientific users. The contribution addressed a specialized need in computational chemistry workflows, providing a robust foundation for future research and development.

Overall Statistics

Feature vs Bugs

100%Features

Repository Contributions

1Total
Bugs
0
Commits
1
Features
1
Lines of code
931
Activity Months1

Work History

February 2026

1 Commits • 1 Features

Feb 1, 2026

February 2026: Delivered Instanton Rate Calculations Support in i-PI for lab-cosmo/atomistic-cookbook, enabling researchers to compute tunneling and reaction rates within a familiar workflow, with enhanced examples and documentation.

Activity

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Quality Metrics

Correctness100.0%
Maintainability80.0%
Architecture100.0%
Performance80.0%
AI Usage20.0%

Skills & Technologies

Programming Languages

Python

Technical Skills

Pythondata analysisnumerical methodsscientific computing

Repositories Contributed To

1 repo

Overview of all repositories you've contributed to across your timeline

lab-cosmo/atomistic-cookbook

Feb 2026 Feb 2026
1 Month active

Languages Used

Python

Technical Skills

Pythondata analysisnumerical methodsscientific computing