Robert Harrison

Professor at Stony Brook University

Town of Brookhaven, New York, United States
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Summary

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Senior
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Top School
Robert Harrison is a professor and director of the Institute for Advanced Computational Science at Stony Brook University with 32 years of experience leading large-scale computational science initiatives across national labs and academia. Trained with a PhD in theoretical chemistry from Cambridge, he has directed centers at Oak Ridge and Brookhaven National Laboratories and served as Chief Scientist for computational science, bridging domain science with high-performance computing infrastructure. He is a hands-on contributor to high-performance open-source projects such as NWChem, where his Fortran work improved core algorithms and performance for computational chemistry at scale. Known for building interdisciplinary programs that translate advanced computing into economic and research impact for New York State, he combines deep technical expertise with strategic institutional leadership. An often-overlooked strength is his sustained ability to move between low-level code optimization and high-level program building, enabling both scientific advances and operational delivery.
code32 years of coding experience
job14 years of employment as a software developer
bookPh.D., Theoretical Chemistry, Ph.D., Theoretical Chemistry at University of Cambridge
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Github Skills (10)

algorithm10
fortran10
algorithms10
computational-chemistry10
numerical10
numerical-methods10
numeric10
performance-optimization9
refactoring8
refactor8

Programming languages (4)

C++CJupyter NotebookFortran

Github contributions (5)

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nwchemgit/nwchem

Mar 1994 - Dec 2003

NWChem: Open Source High-Performance Computational Chemistry
Role in this project:
userBack-end Developer
Contributions:1654 commits, 1 comment in 9 years 9 months
Contributions summary:Robert's commits primarily involve modifying the source code of the NWChem open-source computational chemistry software, which is written in Fortran. These changes include the implementation of new routines, enhancements to existing features like those related to energy, and performance improvements through code optimizations and the addition of pre-compilation tools. The commits demonstrate a focus on refining the core algorithms and data structures within the code and also a deep understanding of the program structure and performance.
chemistryelectronic-structure-calculationsfenicshartree-fockcomputational-science
Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials
Contributions:154 commits, 132 pushes in 2 years 7 months
summer-schoolaplparallelworkshopecp
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Robert Harrison - Professor at Stony Brook University