Paul Saxe
Lead Software Scientist at Molecular Sciences Software Institute
Blacksburg, Virginia, United States
Summary
👤
Senior🎓
Top SchoolPaul Saxe is a veteran computational scientist and software leader who builds and shepherds atomistic modeling tools—from quantum chemistry to molecular dynamics—into practical solutions for energy, materials, and environmental challenges. With a PhD from UC Berkeley and over four decades of hands-on experience spanning Los Alamos, industry pioneers (BioDesign/MSI/Biosym/Accelrys), and co-founding Materials Design, he has architected core products like MedeA and led major code rewrites and integrations (MD, DFT, Poisson–Boltzmann). As Lead Software Scientist at MolSSI he now focuses on open, user-friendly workflows (SEAMM) to broaden access to computational materials science while mentoring the next generation of developers. Notably, his career blends deep algorithmic work—early implementations of CI, SCF second derivatives, and gradient methods—with executive leadership that scaled companies and commercial products. Based in Blacksburg, he brings rare continuity across research, product engineering, and community-focused open-source efforts.
9 years of coding experience
29 years of employment as a software developer
PhD, Theoretical Chemistry, PhD, Theoretical Chemistry at University of California, BerkeleyBSc, Chemistry & Physics, BSc, Chemistry & Physics at North Carolina State University
Github Skills (47)
conda-forge10
plug10
conda10
periodic10
forge10
smithy10
computational-materials-science10
custom-widgets9
simulation9
docking9
computational-chemistry9
procedures9
classifiers9
orbital8
updater8
Programming languages (5)
Github contributions (5)
molssi-seamm/crystal_builder_step
Nov 2020 - Aug 2023
A SEAMM plug-in for building crystals from prototypes.
Contributions:4 releases, 6 PRs, 17 pushes in 2 years 9 months
molssi-seammcomputational-materials-sciencecrystalsprototypesplug-in
conda-forge/seamm-dashboard-client-feedstock
Sep 2022 - Apr 2024
A conda-smithy repository for seamm-dashboard-client.
Contributions:1 review, 8 PRs, 4 pushes in 1 year 7 months
condasmithydashboard
Find and Hire Top DevelopersWe’ve analyzed the programming source code of over 60 million software developers on GitHub and scored them by 50,000 skills. Sign-up on Prog,AI to search for software developers.