Chengwen Liu
Senior Scientist at Qubit Pharmaceuticals
Austin, Texas, United States
Summary
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Senior🎓
Top SchoolChengwen Liu is a Senior Scientist and computational chemist with 15 years of experience specializing in force field development and free energy methods, currently based in Austin, Texas and working at Qubit Pharmaceuticals. He holds a PhD in Theoretical and Computational Chemistry from Peking University and brings deep expertise translating physical chemistry into robust simulation tools. Chengwen is an active contributor to OpenMM, where he implemented and validated AMOEBA+ van der Waals functionality and cross-platform test automation—work that underscores his emphasis on correctness and reproducible high-performance GPU simulations. He combines research-grade modeling with practical software engineering, from build configuration to QA and test automation. Known for bridging academic rigor with production-ready code, he excels at turning complex theoretical methods into reliable, scalable implementations.
14 years of coding experience
Doctor of Philosophy - PhD, Theoretical and Computational Chemistry, Doctor of Philosophy - PhD, Theoretical and Computational Chemistry at Peking University
Stackoverflow
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0reached
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Github Skills (10)
simulations10
simulation10
c-language10
molecular-dynamics-simulation10
cprogramming-language10
molecular-simulation10
nonlinear-dynamics10
testing10
cuda9
algorithms8
Programming languages (4)
Github contributions (5)
openmm/openmm
Aug 2019 - Sep 2019
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Role in this project:
Back-end Developer & QA Engineer / Test Automation Engineer
Back-end Developer & QA Engineer / Test Automation EngineerContributions:9 commits, 2 PRs, 9 comments in 19 days
Contributions summary:Chengwen primarily contributed to the AMOEBA+ VdW force implementation within the OpenMM molecular simulation toolkit. Their work involved adding and testing a new "W-H" epsilon combining rule, along with adding tests for it. They also made updates to existing tests to incorporate the new functionality and fix related issues, which shows a focus on functionality and correctness. Additionally, the user modified build configurations and test setup files, demonstrating a focus on automation and ensuring that the code works on multiple platforms.
cudamolecular-dynamicsopenmmgpusimulation
leucinw/TIPTOP
Aug 2021 - Nov 2022
Contributions:1 release, 41 commits, 21 pushes in 1 year 3 months
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