Ruoxi Yang is a full-stack software engineer with nine years of experience building research-focused tools that accelerate materials discovery through software, data, and machine learning. With a PhD in computational materials and a track record at Berkeley Lab and now Tesla, she bridges deep domain expertise in condensed matter physics with modern engineering practices to produce scalable simulation and workflow systems. She’s an active contributor to high-profile open-source projects like pymatgen and atomate, where she implemented and tested frequency-dependent dielectric and absorption workflows used by the Materials Project community. Comfortable across back-end systems, test automation, and scientific workflow orchestration, she focuses on turning complex physics into reliable, reproducible software that speeds R&D.
9 years of coding experience
6 years of employment as a software developer
Doctor of Philosophy - PhD Computational Materials, Doctor of Philosophy - PhD Computational Materials at Imperial College London
Doctor of Philosophy - PhD Chemistry, Doctor of Philosophy - PhD Chemistry at University of Bath
Bachelor of Science - BS Condensed Matter and Materials Physics, Bachelor of Science - BS Condensed Matter and Materials Physics at Fudan University
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Role in this project:
Back-end Developer & Test Automation Engineer
Contributions:22 commits, 5 PRs, 6 comments in 7 months
Contributions summary:Ruoxi implemented a new input set, MPAbsorptionSet, for generating frequency-dependent dielectrics within the pymatgen library. They added the class and related methods to handle calculations of optical properties. The user also wrote tests for the new functionality, demonstrating a focus on ensuring the correctness of the implementation. Further commits refined the implementation and corrected calculations.
atomate is a powerful software for computational materials science and contains pre-built workflows.
Role in this project:
Back-end Developer & Materials Science Engineer
Contributions:6 commits, 1 PR, 1 comment in 2 months
Contributions summary:Ruoxi primarily contributed to the `atomate` repository, focusing on developing and refining components related to calculating frequency-dependent dielectric functions. This involved creating and modifying Python scripts within the `atomate/vasp` module to handle calculations using VASP, a computational materials science software. The user also added and modified firework workflows and input sets related to the absorption calculations.
Find and Hire Top DevelopersWe’ve analyzed the programming source code of over 60 million software developers on GitHub and scored them by 50,000 skills. Sign-up on Prog,AI to search for software developers.