Aaron Nessler
Senior Software Engineer at Colossus Technologies Group
Iowa City, Iowa, United States
Summary
👤
Senior🎓
Top SchoolAaron Nessler is a computational chemist and software engineer with 8 years’ experience building Java, Python, and HPC-enabled algorithms for crystal structure prediction and similarity quantification. He developed novel CSP pipelines that incorporate isobaric-isothermal sampling and rapid free-energy pathways to improve polymorph stability ranking, and helped integrate neural-network compatibility into Force Field X. His work has translated to industry through a successful collaboration in Tokyo that produced a 90% success rate across published molecules and practical polarizable force field parameterizations. Comfortable mentoring students and presenting to diverse audiences, he combines deep domain expertise in molecular modeling with production-ready coding and experience scaling jobs on HPCs. Based in Iowa City, he brings a pragmatic interest in extending crystal methods to larger systems such as protein crystals and a background in biomedical engineering with fluency in Spanish.
8 years of coding experience
1 year of employment as a software developer
Doctor of Philosophy - PhD, Biomedical Engineering-Computational Chemistry, Doctor of Philosophy - PhD, Biomedical Engineering-Computational Chemistry at The University of Iowa - College of Engineering
English, Spanish
Github Skills (7)
bioinformatics10
biophysics10
computational-biology8
molecular-simulation7
thermodynamics7
parameterization6
optimization1
Programming languages (3)
Github contributions (5)
anessler/Crystal-Structure-Prediction
Jun 2020 - Nov 2022
The goal of this repository is to present a crystal structure prediction workflow based on open source tools.
Contributions:5 pushes in 2 years 5 months
workflow-basedpythonpredictioncrystalgoal
anessler/jtorchani
Oct 2022 - Dec 2022
Contributions:11 pushes, 1 branch in 2 months
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