Chao Xu
Senior Data Scientist
Boston, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolChao Xu is a Senior Data Scientist with a PhD in Chemical Engineering and seven years of experience applying quantum chemistry, microkinetic modeling, and machine learning to accelerate discovery in catalysis, drugs, and materials. He blends hands-on DFT and cheminformatics expertise with scientific software development, including backend contributions to the widely used Cantera library improving reaction-rate handling. Based in Boston, he has translated academic research into production analytics and tools at Amgen—building SpotFire dashboards, supporting ELN systems, and previously delivering an R Shiny app for proteomics workflows. Comfortable at the intersection of lab automation and data science, he pairs experimental experience from high-throughput screening with robust coding and data-curation skills to turn complex chemical data into actionable insights.
7 years of coding experience
6 years of employment as a software developer
Bachelor's degree, Applied Chemistry, Bachelor's degree, Applied Chemistry at Dalian Jiaotong UniversityDoctor of Philosophy - PhD, Chemical Engineering, Doctor of Philosophy - PhD, Chemical Engineering at Northeastern University
Github Skills (5)
kinetics10
c-language10
cprogramming-language10
cython10
yaml9
Programming languages (4)
Github contributions (5)
Cantera/cantera
Dec 2020 - May 2021
Chemical kinetics, thermodynamics, and transport tool suite
Role in this project:
Back-end Developer
Back-end DeveloperContributions:1 review, 17 commits, 7 PRs in 5 months
Contributions summary:Chao primarily contributed to the Cantera project's kinetics and reaction rate calculations. Their work involved implementing and modifying reaction rate classes, specifically those related to the Blowers-Masel approximation. They also addressed a bug related to writing SRI parameters to a YAML file. The contributions demonstrate a focus on improving the handling of chemical reaction kinetics within the Cantera library.
pythontoolboxchemicalmeta-analysisthermodynamics
12Chao/cantera
May 2020 - Sep 2021
Chemical kinetics, thermodynamics, and transport tool suite
Contributions:7 PRs, 126 pushes, 15 branches in 1 year 4 months
pythonchemicalmeta-analysisthermodynamicskinetics
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