Yuriy Khalak
Math Analyst I
Moncton, New Brunswick, Canada
Summary
👤
Senior🎓
Top SchoolYuriy Khalak is a Math Analyst and computational scientist with a decade of experience building high-performance scientific software spanning C++, Python, and ML-driven automation. He began coding at age nine and parlayed early competitive programming success into bioinformatics and molecular simulation research, implementing polarization models and parallel algorithms for GROMACS and custom MD engines. His postdoctoral work at the Max Planck Institute focused on automating ligand binding free energy calculations and AI-assisted drug design, and he has also delivered client-facing numerical modelling solutions in industry. Comfortable moving between research and production, Yuriy has a rare blend of deep theoretical chemistry, PhD-level modeling expertise, and practical software engineering for real-world regulatory and scientific problems. Based in Moncton, Canada, he continues to apply automated and ML techniques to accelerate complex workflows while mentoring and teaching in adjacent roles.
10 years of coding experience
3 years of employment as a software developer
Doctor of Philosophy - PhD, Mathematics and Computer Science, Doctor of Philosophy - PhD, Mathematics and Computer Science at Eindhoven University of TechnologyBachelor of Science (BSc), Biology, Physics, Bachelor of Science (BSc), Biology, Physics at Dalhousie UniversityDoctor of Philosophy - PhD, Chemistry, Doctor of Philosophy - PhD, Chemistry at University of Waterloo
English, French, Ukrainian, Russian, Swedish
Github Skills (15)
docking10
gaussian10
energy10
programming-language10
orbital10
calculation10
python10
materials-informatics9
dynamics9
bioinformatics9
chemistry8
wsl27
quantum-computing7
quantum-chemistry6
windows5
Programming languages (4)
Github contributions (5)
t3rodrig/LammpsTutorials
Mar 2016 - Jun 2016
Contributions:28 commits, 19 pushes, 2 branches in 3 months
zetadin/LogistiX
Mar 2023 - Jan 2025
Contributions:9 PRs, 158 pushes, 14 branches in 1 year 10 months
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