Yuxuan Zhuang
Wallenberg Fellow at MDAnalysis
San Jose, California, United States
Summary
🤩
Rockstar🎓
Top SchoolYuxuan Zhuang is a Wallenberg Fellow and postdoctoral researcher in Prof. Ron Dror's group at Stanford, bringing nine years of experience at the intersection of molecular biophysics and scientific software engineering. He holds a PhD in Molecular Biophysics from Stockholm University and has a strong chemistry foundation from Uppsala and USTC, applying molecular dynamics simulations to probe biomolecular systems. As a core developer for the widely used MDAnalysis library, he has deep expertise in back-end development and test automation, driving >95% coverage for critical analysis modules and resolving tricky serialization and reader bugs. His work blends rigorous computational science with production-quality code—translating research needs into robust, tested tools used by the community. Based in San Jose, he combines academic research, open-source stewardship, and practical engineering to accelerate reproducible simulation workflows. An under-the-radar strength is his ability to improve legacy codebases incrementally while maintaining scientific correctness and performance.
9 years of coding experience
5 years of employment as a software developer
Master of Science (MSc), Chemistry, Master of Science (MSc), Chemistry at Uppsala UniversityBachelor of Science (BSc), Chemistry, Bachelor of Science (BSc), Chemistry at University of Science and Technology of ChinaDoctor of Philosophy - PhD, Molecular Biophysics, Doctor of Philosophy - PhD, Molecular Biophysics at Stockholm University
Github Skills (6)
unit-testing10
mdanalysis10
python10
testing10
numpy9
computational-chemistry8
Programming languages (5)
Github contributions (5)
MDAnalysis/mdanalysis
Mar 2020 - Jul 2022
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Role in this project:
Back-end Developer & Test Automation Engineer
Back-end Developer & Test Automation EngineerContributions:112 reviews, 24 commits, 34 PRs in 2 years 4 months
Contributions summary:Yuxuan significantly contributed to improving the test coverage and functionality of the `MDAnalysis` library. They focused on writing and expanding tests for the `analysis/leaflet.py` module, ensuring greater than 95% coverage. They also implemented changes to the weights and RMSD calculations, as well as fixing serialization issues. Furthermore, they addressed and fixed various bugs, as evidenced by the `TRZReader` and `ChainReader` refactoring.
molecular-dynamics-simulationmolecular-dynamics-simulationspython-librarypythonscience
yuxuanzhuang/MDAnalysis.github.io
Aug 2020 - Dec 2024
MDAnalysis home page mdanalysis.org as GitHub pages.
Contributions:9 pushes, 2 branches in 4 years 4 months
home-pagepythonmdanalysis
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