Ignacio Migliaro
Research Associate
Denton, Texas, United States
Summary
👤
Senior🎓
Top SchoolIgnacio Migliaro is a computational chemist and research associate with nine years of experience specializing in machine learning–driven design and automation for homogeneous catalysts and materials. He blends deep expertise in Python, cheminformatics (RDKit), ML (graph neural networks, active learning, deep learning), and high-performance computing to accelerate chemical space exploration and discovery. His work spans molecular dynamics, DFT, and machine-learned interatomic potentials applied to catalyst–polymer interactions, reaction mechanisms, and polymer recycling optimization. Ignacio has hands-on experience building automated workflows and cloud infrastructure for training ML force fields and applying them to crystal structure prediction for drug-like molecules. Comfortable collaborating with experimentalists, he translates computational insight into actionable strategies to improve catalytic performance. Based in Denton, Texas, he pairs rigorous academic training (PhD work at University of North Texas) with practical software and simulation engineering to push interdisciplinary boundaries.
9 years of coding experience
Bachelor's degree, Chemistry, Bachelor's degree, Chemistry at Universidad de GuanajuatoDoctor of Philosophy - PhD, Chemsitry, Doctor of Philosophy - PhD, Chemsitry at University of North Texas
Stackoverflow
1reputation
0reached
1answer
0questions
Github Skills (17)
message-passing7
laravel-validation6
php6
computational-chemistry6
machine-learning6
laravel6
quantum-chemistry6
eloquent6
computational-materials-science5
neural-network4
deep-neural-networks3
python2
simulation1
dft1
polymorphism1
Programming languages (2)
Github contributions (5)
ignaciomigliaro/MLFF_training
May 2024 - Mar 2025
This is a repo that has a collection of codes to parse and train QM data for MLFF training
Contributions:1 review, 4 PRs, 144 pushes in 10 months
sterling-group/ChemRefine
Sep 2025 - Jul 2026
An automated and interoperable manager for computational chemistry workflows.
Contributions:1 release, 28 PRs, 123 pushes in 10 months
computational-chemistry
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