Jiri Hostas

Research Officer (AsRO) at National Research Council Canada / Conseil national de recherches Canada

Montreal, Quebec, Canada
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Summary

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Senior
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Top School
Jiri Hostas is a research scientist and machine-learning practitioner with over eight years applying data-driven techniques at the intersection of physics, chemistry, and materials discovery. Currently a Research Officer at the National Research Council Canada, he focuses on quantum-enhanced design for materials and chemistry after leading ML-driven materials and molecular design projects as a postdoc. He has introduced and combined methods from autoencoders and VAEs to normalizing flows, active learning and Gaussian processes to accelerate geometry optimization and catalyst screening by orders of magnitude. Experienced in HPC workflows, patent and literature mining, and industrial collaborations, he bridges academic rigor with practical, client-facing problem solving. He also mentors students and helped secure grant funding while publishing in high-impact journals, demonstrating strong communication and project leadership. Outside work he pursues navigation-rich outdoor adventures across ranges from the Canadian Rockies to the European Alps, reflecting a taste for complex problem solving both in the lab and the wild.
code8 years of coding experience
job11 years of employment as a software developer
bookSecondary school, Secondary school at Gymnazium Ostrava-Zabreh
bookBachelor's degree, Chemistry, Bachelor's degree, Chemistry at University of Chemistry and Technology in Prague (UCT Prague)
bookDoctor of Philosophy - Ph.D., Chemistry, Doctor of Philosophy - Ph.D., Chemistry at Charles University in Prague
languagesCzech, English
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Github Skills (3)

testing6
variational-autoencoder3
drug-discovery1

Programming languages (1)

Jupyter Notebook

Github contributions (5)

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Contributions:1 release, 122 commits, 1 PR in 5 years 4 months
testing
jiri-hostas/hostas

Jan 2023 - Apr 2025

Contributions:11 pushes, 1 branch in 2 years 3 months
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