Shyue Ong
Provost Chair Professor at MaterialsQM Consulting LLC
San Diego, California, Singapore
Summary
🤩
Rockstar🎓
Top SchoolShyue Ong is a Provost’s Chair Professor of Materials Science and Engineering who combines 13 years of academic leadership with hands-on software and AI-driven materials research. He co-founded Elemynt and co-leads MaterialsQM Consulting, translating machine learning and data science into accelerated materials R&D while maintaining an active research professorship at NUS. A founding contributor and chief architect behind widely used tools in computational materials (notably pymatgen and contributions to Phonopy, atomate and MEGNet), he bridges first-principles simulation, workflow automation, and production-ready software engineering. His background spans elite research institutions (MIT, UC San Diego) and public-sector policy roles in Singapore, giving him rare experience in both technical scale-up and organizational strategy. Based in San Diego and Singapore, he is known for pragmatic open-source contributions that improve compatibility and robustness across scientific codes.
13 years of coding experience
22 years of employment as a software developer
PhD Materials Science and Engineering, PhD Materials Science and Engineering at Massachusetts Institute of TechnologyMEng Electrical and Information Science Engineering, MEng Electrical and Information Science Engineering at University of Cambridge
English, Chinese
Stackoverflow
1reputation
0reached
1answer
0questions
Github Skills (25)
python10
machine-learning10
materials-informatics10
keras10
deeplearning-ai10
pymatgen10
deep-learning10
tensorflow10
lxml10
xml-parsing10
jupyter-notebook10
science10
computational-materials-science10
scikit9
data-processing9
Programming languages (13)
Github contributions (5)
materialsvirtuallab/matgenb
Mar 2017 - Dec 2022
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
Role in this project:
Full-stack Developer
Full-stack DeveloperContributions:137 commits, 45 PRs, 152 pushes in 5 years 10 months
Contributions summary:Shyue's contributions involve adding and modifying Jupyter notebooks, which showcase the utilization of open-source codes for materials science. The user has demonstrated their expertise in creating notebooks for various tasks, including data retrieval from the Materials Project, phase diagram construction, and calculation and visualization of XRD patterns. Moreover, the user is proficient with the pymatgen library and other tools used for materials science analysis.
jupyter-bookscienceopen-accessutilizationjupyter-notebook
materialsvirtuallab/megnet
Dec 2018 - Dec 2022
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Role in this project:Back-end Developer & ML Engineer
Back-end Developer & ML EngineerContributions:12 releases, 269 commits, 50 PRs in 4 years
Contributions summary:Shyue's commits primarily focus on modifying the setup file to include dependencies. They made several updates to address issues with dependencies and ensure compatibility, including pinning specific versions of required packages. They also fixed test paths within the project, demonstrating a focus on ensuring the codebase's integrity and functionality. The user appears to be involved in materials science machine learning by working on path fixing for the QM9 model.
moleculesgraph-networksdeep-learningcrystalsmachine-learning
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