BenjaminΒ Comer
AI Researcher at Shell
Houston, Texas, United States
Summary
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Seniorπ
Top SchoolBenjamin Comer is an AI researcher and computational chemist with nine years of experience applying ML, GNNs, and HPC to accelerate materials and catalyst discovery. With a PhD from Georgia Tech and postdoctoral work at Stanford, he has pioneered a new subfield in photocatalytic nitrogen fixation and developed production-grade tools used across research centers. At Shell he led projects that integrated experiments and MLβpublishing papers, filing a patent, and inventing a formulation optimization algorithm roughly 1000x faster than prior methods. He is known as the go-to expert for graph neural networks in chemistry, strong communicator, and builder of reproducible pipelines from DFT to generative molecular models. Benjamin combines deep theoretical expertise (DFT, electronic-structure descriptors) with practical software craftsmanship (Python, PyTorch, HPC) and a track record of turning complex simulations into actionable experimental guidance. An uncommon strength is his ability to compress multi-day workflows into seconds through automation, enabling faster iteration between computation and lab.
9 years of coding experience
2 years of employment as a software developer
Doctor of Philosophy - PhD, Chemical Engineering, Doctor of Philosophy - PhD, Chemical Engineering at Georgia Institute of TechnologyBachelor of Engineering - BE, Chemical Engineering, Summa Cum Laude, Bachelor of Engineering - BE, Chemical Engineering, Summa Cum Laude at Auburn University
Stackoverflow
1reputation
0reached
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0questions
Github Skills (34)
materials-informatics9
genomics9
python8
science8
ase8
atomic8
bioinformatics8
simulation8
espresso7
gitlab7
pytorch-lightning7
code-analysis7
quantum-computing6
pymatgen6
machine-learning6
Programming languages (3)
Github contributions (5)
SPARC-X/SPARC-X-API
Dec 2018 - Oct 2022
Contributions:39 commits, 1 PR, 5 pushes in 3 years 10 months
medford-group/lammps_interface
Jun 2019 - Nov 2019
Contributions:55 commits, 43 pushes in 5 months
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