Ruibin Liu
Postdoctoral Research Fellow at University of Maryland School of Pharmacy
Baltimore, Maryland, United States
Summary
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Senior🎓
Top SchoolRuibin Liu is a computational chemist and postdoctoral researcher with a PhD in theoretical chemistry and over a decade of experience applying molecular simulation, quantum chemistry, and machine learning to biological and materials problems. He develops and deploys Continuous Constant pH Molecular Dynamics (CpHMD) workflows for drug design and pKa prediction across local, Docker, and cloud platforms, and has led web and software projects at ComputChem LLC. His doctoral work produced novel tight-binding models for quantum dots, revealing size-dependent electronic coupling effects that inform charge transfer and solar-harvesting designs. Based in Baltimore, he combines hands-on method development with consulting experience, uniquely bridging quantum-scale modeling, CpHMD applications, and ML-driven property prediction for both biomolecules and nanomaterials.
10 years of coding experience
1 year of employment as a software developer
Doctor of Philosophy - PhD, Theoretical Chemistry, Doctor of Philosophy - PhD, Theoretical Chemistry at Duke UniversityBachelor's degree, Chemistry, Bachelor's degree, Chemistry at University of Science and Technology of China
English, Chinese
Stackoverflow
1reputation
0reached
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Github Skills (200)
anomaly-detection10
python10
pycaret10
regression10
deep-learning10
parallel-computing10
computer-graphics10
gpu10
genomics10
computational-biology10
gpu-acceleration10
cudnn10
clustering10
dgl10
portable10
Programming languages (11)
Github contributions (5)
Ruibin-Liu/despace
Mar 2022 - Dec 2022
Spatial decomposition without space filling curves
Contributions:7 releases, 118 commits, 17 PRs in 9 months
spatial-indexingpythondecompositionhilbert-curvemorton-order
Ruibin-Liu/pyuniprot
Aug 2023 - Jan 2025
Store the bioinformatic information in a python object given a Uniprot ID
Contributions:1 release, 11 PRs, 46 pushes in 1 year 4 months
bioinformaticsbiologydatabaseuniprotuniref
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