Roman Zubatyuk
Senior Application Engineer
Pittsburgh, Pennsylvania, United States
Summary
👤
Senior🎓
Top SchoolRoman Zubatyuk is a Senior Application Engineer with 13 years of experience blending computational chemistry, Linux system administration, and Python development on a trajectory toward data science. He has transitioned from academic research roles—including postdoctoral positions at UNC and Carnegie Mellon and a long tenure at the Institute for Single Crystals—to applied engineering at NVIDIA, bringing deep domain expertise in chemical modeling and high-performance visualization. Roman’s PhD in Computational and Data-Enabled Science and Engineering underpins a pragmatic approach to turning complex simulations into scalable software and reproducible workflows. He is comfortable at the intersection of research and production, able to optimize compute-heavy pipelines while managing the underlying infrastructure. Based in Pittsburgh, he pairs rigorous scientific training with hands-on systems skills, often bridging gaps between chemists and engineers. An understated strength is his sustained commitment to long-term projects and infrastructure, suggesting reliability in delivering impactful, research-driven engineering.
13 years of coding experience
23 years of employment as a software developer
Master of Science (MS), Chemistry, Master of Science (MS), Chemistry at Kharkiv National UniversityDoctor of Philosophy - PhD, Computational and Data-Enabled Science and Engineering, Doctor of Philosophy - PhD, Computational and Data-Enabled Science and Engineering at Jackson State University
Stackoverflow
1reputation
0reached
1answer
0questions
Github Skills (30)
python10
gpu10
numpy9
machine-learning9
neural-network9
deep-learning9
gpu-acceleration8
chemistry8
autograd8
materials-informatics8
tensor8
pytorch8
quantum-mechanics8
molecular-simulation8
quantum-chemistry7
Programming languages (3)
Github contributions (5)
isayevlab/aimnetcentral
Nov 2024 - Feb 2026
AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations
Contributions:3 reviews, 12 PRs, 23 pushes in 1 year 3 months
molecular-dynamics-simulation
zubatyuk/cmol
Jun 2013 - Mar 2015
Contributions:26 commits, 3 pushes in 1 year 9 months
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