Xiaohua Zhang
Staff Scientist at Lawrence Livermore National Laboratory
Livermore, California, United States
Summary
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Senior🎓
Top SchoolXiaohua Zhang is a Staff Scientist at Lawrence Livermore National Laboratory with over a decade of experience developing novel theoretical and computational chemistry methods and engineering production-grade software in C/C++ and Python. With a Ph.D. from UC Santa Barbara and a BS from USTC, she translates complex quantum and molecular models into scalable implementations that support scientific discovery. At LLNL since 2015, she bridges methodological research and practical tooling, ensuring algorithms are both scientifically rigorous and maintainable in large codebases. Known for combining deep domain expertise with hands-on software craftsmanship, she often optimizes performance-critical code for high-performance computing environments.
10 years of coding experience
BS, BS at University of Science and Technology of ChinaPh.D, Ph.D at University of California, Santa Barbara
Github Skills (27)
simulation10
molecular-simulation10
python10
simulations10
computational-chemistry10
mdanalysis10
dynamics10
molecular-dynamics-simulation10
virtual-screening10
science10
simulator9
to-do9
electrophysiology9
bioinformatics9
application9
Programming languages (3)
Github contributions (5)
LLNL/ddcMD
Jun 2020 - Dec 2022
A fully GPU-accelerated molecular dynamics program for the Martini force field
Contributions:1 release, 34 commits, 1 PR in 2 years 5 months
cudamolecular-dynamicsgpuacceleratedmolecular
XiaohuaZhangLLNL/mdanalysis
Jul 2020 - Dec 2021
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Contributions:8 commits, 10 pushes, 2 branches in 1 year 5 months
python-librarypythonmolecular-dynamicsmolecular-dynamics-trajectoriessimulation
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