Scott Thiel
Postdoctoral Research Associate
Durham, North Carolina, United States
Summary
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Senior🎓
Top SchoolScott Thiel is a Postdoctoral Research Associate with nine years of experience at the intersection of chemistry and computer science, currently based in Durham, NC. He holds a PhD in Chemistry from UMass Amherst and a BS in Chemistry and Computer Science from RPI, combining experimental materials synthesis and characterization with computational tool development. His open-source contributions include back-end enhancements to the widely used pymatgen library—adding robust ShelX res file I/O support that improves crystallographic data workflows and AIRSS compatibility. Scott’s background spans hands-on nanoparticle synthesis and teaching, giving him a practical perspective on how software can accelerate materials discovery. He brings a pragmatic, research-driven approach to building reproducible analysis tools that bridge lab experiments and computational materials science.
9 years of coding experience
3 years of employment as a software developer
Doctor of Philosophy - PhD, Chemistry, Doctor of Philosophy - PhD, Chemistry at University of Massachusetts AmherstBachelor of Science - BS, Chemistry, Computer Science, Bachelor of Science - BS, Chemistry, Computer Science at Rensselaer Polytechnic Institute
Github Skills (8)
file-handling10
file-processing10
lattice10
file-access10
science10
python10
fileio10
materials-informatics10
Programming languages (5)
Github contributions (5)
materialsproject/pymatgen
Aug 2022 - Aug 2022
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Role in this project:
Back-end Developer
Back-end DeveloperContributions:1 review, 23 commits, 2 PRs in 13 days
Contributions summary:Scott focused on implementing and enhancing input/output (IO) functionality for the pymatgen library, specifically for reading and writing ShelX res files. They developed a `ResIO` class for handling res file conversions, including adding support for parsing and writing structures and computed entries. The commits reveal the addition of features to handle various aspects of res files, such as blank lines, end tags, spin values, and improved parsing. Their contributions directly improved the library's ability to interact with crystallographic data and AIRSS calculations.
moleculespythonscienceelectronic-structurepowers
ScottNotFound/dotfiles
Nov 2018 - Jan 2025
Contributions:51 pushes, 1 branch in 6 years 3 months
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