Miao Liu
Professor at 中国科学院物理研究所/北京凝聚态物理国家研究中心
Berkeley, California, United States
Summary
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Rockstar🎓
Top SchoolMiao Liu is a professor and materials scientist with 12 years of experience building data-driven infrastructures for accelerated materials discovery, and is the founder of Atomly.net, a high-quality materials knowledge base. Based in Berkeley, she blends academic leadership at the Chinese Academy of Sciences with hands-on developer experience from her postdoc at Berkeley Lab, where she contributed to the Materials Project and high-throughput materials design. Her open-source contributions to pymatgen—adding multivalent-cation battery modeling and unit tests using Mg–MnO2—highlight a rare combination of electrochemistry insight and practical software engineering. She has deep expertise in battery materials, nanoscale phenomena, and database-driven materials informatics, enabling cost-effective screening and prediction workflows. Colleagues benefit from her ability to translate multiscale modeling and experimental knowledge into reproducible code and scalable data services.
13 years of coding experience
12 years of employment as a software developer
The University of Utah
Stackoverflow
1reputation
0reached
0answers
0questions
Github Skills (8)
unit-testing10
science10
python10
scientific-computing10
material-components9
materials-informatics9
material39
material-design9
Programming languages (3)
Github contributions (5)
materialsproject/pymatgen
Aug 2013 - Jan 2018
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 & Data Scientist
Back-end Developer & Data ScientistContributions:23 commits, 4 PRs, 3 pushes in 4 years 5 months
Contributions summary:Miao contributed to the battery module within pymatgen by adding compatibility for multivalent cations and unit tests. They modified the conversion battery module, applying the same treatment as for insertion electrodes to correctly handle multivalent ions. Furthermore, the user added a unit test using the Mg-MnO2 system, demonstrating expertise in materials science and battery modeling. The commits involved the implementation of calculations related to battery performance.
pymatgenpythonsciencematerials-sciencematerials-informatics
miaoliu/pymatgen
Jan 2017 - Jan 2018
Contributions:5 pushes in 11 months
pythonmaterials-projectdata-science
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