Chris Iacovella
Bioinformatics Software Engineer III
Portland, Oregon, United States
Summary
👤
Senior🎓
Top SchoolChris Iacovella is a Bioinformatics Software Engineer III and computational scientist with over two decades of research experience, now applying molecular simulation, high-performance computing, and data science at Memorial Sloan Kettering Cancer Center. He combines deep domain expertise in computational chemistry, materials science, and biophysics with practical software development—co-leading the open-source MoSDeF effort to improve reproducibility and enable high-throughput chemical screening. His work spans atomistic-to-coarse-grained modeling, force field development, and machine learning–driven analysis, with applications from nanoparticle self-assembly to biological membrane permeation. As a former research professor he has mentored 30+ students, authored 60+ peer-reviewed papers with ~1,600 citations, and run workshops training hundreds of researchers. Based in Portland, he is known for bridging rigorous simulation methodology with production-ready tooling that accelerates scientific design cycles. An underappreciated strength is his track record of translating complex structural analysis algorithms into user-friendly, reproducible software used by the community.
10 years of coding experience
20 years of employment as a software developer
PhD, Chemical Engineering, PhD, Chemical Engineering at University of MichiganBS, Chemical Engineering, BS, Chemical Engineering at University at Buffalo
Github Skills (45)
component-based10
molecule10
hierarchical10
python10
molecular-simulation10
topology10
simulation9
storage9
chemistry9
computational-biology9
rapid8
arxiv8
monte-carlo8
surrogate8
distributed-computing7
Programming languages (5)
Github contributions (5)
chrisiacovella/mbuild
May 2020 - Mar 2025
A hierarchical, component based molecule builder
Contributions:106 pushes, 12 branches in 4 years 10 months
component-basedhierarchicalmoleculebuildermolecule-builder
chrisiacovella/modelforge
Aug 2023 - Apr 2025
Infrastructure to implement and train NNPs
Contributions:426 pushes, 69 branches in 1 year 8 months
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