Daniel Montoya
Computer Systems Engineer at Systems Development and Analysis
Ashburn, Virginia, United States
Summary
🤩
Rockstar🎓
Top SchoolDaniel Montoya is a Computer Systems Engineer based in Ashburn, VA with 14 years of hands-on experience building and improving scientific and backend software. Currently at Systems Development and Analysis, he brings deep expertise in computational chemistry tooling—having extended the open-source psi4 quantum chemistry package with new EOM, Brueckner-orbital, and density-on-a-grid capabilities and added coupled-cluster test coverage and bug fixes. A Virginia Tech computer science graduate and former peer mentor, Daniel combines mentorship experience with rigorous coding practices and a focus on validated, reproducible scientific computation. He is comfortable navigating both low-level C++/Python integrations and domain-specific numerical algorithms, making him effective at turning complex research requirements into production-quality code.
14 years of coding experience
Bachelor's degree, Computer Science, Bachelor's degree, Computer Science at Virginia Tech
Github Skills (6)
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
numerical-methods9
fortran8
Programming languages (5)
Github contributions (5)
psi4/psi4
Sep 2011 - Jan 2021
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Back-end Developer & Computational Chemist
Back-end Developer & Computational ChemistContributions:44 reviews, 337 commits, 1 PR in 9 years 5 months
Contributions summary:Daniel's contributions primarily involved modifying and extending the codebase for a quantum chemistry software package. Their work focused on adding new features for the calculation of EOM (Equation-of-Motion) properties, Brueckner-orbital capabilities, and density-on-a-grid calculations. The user also addressed multiple bug fixes and code improvements. Notably, the user was focused on the CC (coupled-cluster) formalism to facilitate the development and testing of the code, including the addition of test cases to validate calculations.
physicschemistrypythonquantum-computingelectronic-structure
lothian/psi4
Jan 2021 - Mar 2025
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Contributions:28 pushes, 4 branches in 4 years 3 months
chemistrypythonquantum-computingelectronic-structureelectronic
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