Jason Yu - Principal Scientist at Amgen

Jason Yu

Principal Scientist at Amgen

Pasadena, California, United States

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Summary

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Rockstar

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Jason Yu is a Principal Scientist and computational chemist with eight years of experience applying first-principles and data-driven methods to drug discovery and materials design. He leads ML- and physics-based modeling efforts at Amgen, bridging structure- and ligand-based design to accelerate projects across discovery and optimization stages. His academic work spans developing coupled-cluster methods for periodic systems, open-source implementations in PySCF, and de novo design tools for molecular spin qubits—skills that combine deep theory with practical software engineering. Jason has industrial experience building AI-driven cheminformatics platforms (e.g., DEL analysis and RNA-binding hit discovery at Biogen) and a track record of shipping research code that integrates into production workflows. Based in Pasadena, he pairs a PhD in computational chemistry with notable open-source contributions to a widely used quantum chemistry library, illustrating a rare blend of research rigor and impactful engineering.

8 years of coding experience

5 years of employment as a software developer

Doctor of Philosophy - PhD Computational Chemistry, Doctor of Philosophy - PhD Computational Chemistry at UC Irvine Department of Chemistry

California Institute of Technology

University of California, Irvine

Github Skills (6)

quantum-chemistry10

python10

implement9

computational-chemistry9

algorithm9

algorithms9

Programming languages (2)

HTMLPython

Github contributions (5)

pyscf/pyscf

Jul 2018 - Dec 2018

Python module for quantum chemistry

Role in this project:

Back-end Developer

Contributions:37 commits, 19 pushes, 1 comment in 4 months

Contributions summary:Jason has made significant contributions to the PySCF library. Their work primarily focuses on the implementation and modification of computational methods, particularly within the context of coupled cluster theory and its application to molecular electronic structure calculations. The changes encompass core algorithm modifications, potentially for efficiency or functionality enhancements, in several key files related to EOM-CCSD. The user also made improvements to the KCCSD code.

pythonchemistryquantum-computingpython-modulequantum-chemistry

Jasonmyu/Jasonmyu.github.io

Feb 2019 - Sep 2022

Contributions:1 PR, 9 pushes, 1 branch in 3 years 8 months

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