Justin Smith
Principal DevRel Manager - AI For Chemistry And Materials
Boston, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolJustin Smith is a Principal DevRel Manager at NVIDIA focused on accelerating AI for chemistry and materials, bringing 11 years of experience at the intersection of computational chemistry and machine learning. He earned a Ph.D. in Computational Chemistry and has a strong track record developing GPU-optimized ML software for molecular dynamics and excited-state simulations. Justin has progressed from hands-on research roles at the University of Florida and Los Alamos National Laboratory to industry positions at Relay Therapeutics and NVIDIA, bridging scientific rigor with developer advocacy. He specializes in turning ab initio quantum data into practical ML-driven simulation tools and porting legacy scientific codes to GPU architectures. Colleagues rely on him to translate complex research into accessible developer resources and reproducible workflows for the computational materials community. Based in Boston, he combines deep domain expertise with product-minded DevRel leadership to grow adoption of AI methods in chemistry.
11 years of coding experience
8 years of employment as a software developer
B.S, Mathematics; Minor in Chemistry, 3.79, B.S, Mathematics; Minor in Chemistry, 3.79 at University of MontevalloDoctor of Philosophy (Ph.D.), Computational Chemistry, 3.72, Doctor of Philosophy (Ph.D.), Computational Chemistry, 3.72 at University of Florida
Github Skills (15)
chemistry10
cheminformatics10
data-set10
python9
neural-network9
deep-learning9
machine-learning8
quantum-mechanics8
molecular-simulation8
quantum-chemistry7
pytorch6
monte-carlo4
simulation3
tensorflow2
density-functional-theory1
Programming languages (3)
Github contributions (5)
Jussmith01/PycharmProjects
Aug 2015 - May 2017
Contributions:218 pushes, 1 branch in 1 year 9 months
Jussmith01/ANI-Tools
Jun 2017 - Aug 2022
Contributions:216 commits, 1 PR, 246 pushes in 5 years 3 months
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