Eliseo Rimoldi

Research Scientist at University of Notre Dame

New York, New York, United States
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Summary

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Senior
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Top School
Eliseo Rimoldi is a research scientist with 11 years of experience applying chemical engineering, molecular simulation, and software engineering to problems in soft matter and porous materials. With a PhD from the University of Notre Dame and roles at Notre Dame and the Molecular Sciences Software Institute, he builds automated workflows and machine-learning force fields for organic liquids, electrolytes, and nanodroplets while also teaching open-source development to researchers. His work spans practical simulation tasks—solvation free energies and gas adsorption—to tooling that accelerates reproducible molecular dynamics and quantum chemistry studies. Based in New York, he combines deep domain knowledge with hands-on software craftsmanship, often bridging methodological research and production-ready automation in computational molecular sciences.
code11 years of coding experience
job4 years of employment as a software developer
bookDoctor of Philosophy (PhD), Chemical Engineering, Doctor of Philosophy (PhD), Chemical Engineering at University of Notre Dame
bookLicenciatura, Ingeniería Química, Licenciatura, Ingeniería Química at Universidad de Guadalajara
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Github Skills (32)

molecular-simulation10
simulations10
conda10
forge10
monte-carlo10
cassandra9
conda-forge9
computational-materials-science8
topology8
simulation8
smithy8
storage7
plug7
computational-chemistry7
chemistry7

Programming languages (6)

ShellMakefileJavaScriptJupyter NotebookPythonFortran

Github contributions (5)

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emarinri/mosdef_cassandra

Oct 2022 - Nov 2024

MoSDeF compatible wrapper for Cassandra Monte Carlo code
Contributions:2 PRs, 45 pushes, 11 branches in 2 years 1 month
monte-carlocarlocassandramosdef
MaginnGroup/Cassandra

Jan 2015 - Oct 2022

Cassandra is a Monte Carlo package to conduct atomistic simulations.
Contributions:3 releases, 195 commits, 24 PRs in 7 years 10 months
cassandrasimulationsatomistic-simulationsmonte-carlomonte-carlo-simulation
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Eliseo Rimoldi - Research Scientist at University of Notre Dame