Xinyu Li
Postdoctoral Research Associate
Adelaide, South Australia
Summary
👤
Senior🎓
Top SchoolXinyu Li is a postdoctoral research associate blending eight years of interdisciplinary expertise in machine learning and computational chemistry to accelerate renewable-energy materials discovery and drug design. Based in Adelaide, she develops ML-driven computational methods—such as AI force fields and molecular docking tools—to tackle challenges from CO2 capture to hydrogen production and battery chemistry. Her background spans PhD-level computer science work and advanced degrees in renewable energy from institutions including MINES ParisTech, giving her a rare combination of algorithmic rigor and domain knowledge in energy materials. Notably, she translates academic research into applied tooling for materials screening and computer-aided drug design, bridging theory and deployable computational workflows.
8 years of coding experience
1 year of employment as a software developer
Doctor of Philosophy - PhD, Computer Science, Doctor of Philosophy - PhD, Computer Science at University of NewcastleMaster of Engineering - MEng, Renewable Energy Science and Engineering, Master of Engineering - MEng, Renewable Energy Science and Engineering at Huazhong University of Science and TechnologyBachelor of Engineering - BE, Renewable Energy Science and Engineering, Bachelor of Engineering - BE, Renewable Energy Science and Engineering at Central South UniversityMaster of Science - MS, Renewable Energy, Master of Science - MS, Renewable Energy at MINES ParisTech
Chinese, English
Github Skills (69)
genomics10
chemistry10
materials-informatics10
statistics9
science9
python9
computational-chemistry9
drug-discovery9
bioinformatics9
biology9
quantum-mechanics9
simulations8
pymatgen8
code-analysis8
density-functional-theory8
Programming languages (4)
Github contributions (5)
lixinyuu/sklearn-pso
Mar 2020 - Sep 2020
Contributions:24 commits, 20 pushes, 1 branch in 6 months
lixinyuu/lixinyuu.github.io
Mar 2020 - Nov 2023
Contributions:9 pushes, 3 branches in 3 years 8 months
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