Ajay Panyala

Senior Computer Scientist at Pacific Northwest National Laboratory

West Richland, Washington, United States
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Summary

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Ajay Panyala is a Senior Computer Scientist with over a decade of experience specializing in high-performance and parallel computing, with a research focus on automatic parallelization. Based at Pacific Northwest National Laboratory, he has progressed from postdoctoral work to senior technical roles driving HPC solutions for scientific workloads. His open-source contributions to NWChem include performance-focused GPU optimizations for CUDA and HIP, improving CCSD(T) kernels and GPU memory handling—work that impacts a widely used computational chemistry codebase. Ajay holds a Ph.D. in Computer Science from Louisiana State University and combines deep research expertise with hands-on engineering to translate algorithms into scalable, GPU-accelerated implementations.
code9 years of coding experience
job14 years of employment as a software developer
bookJawaharlal Nehru Technological University Hyderabad
bookDoctor of Philosophy (Ph.D.), Computer Science, Doctor of Philosophy (Ph.D.), Computer Science at Louisiana State University
languagesTelugu, Hindi, English
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Github Skills (11)

cuda10
hip10
gpu-programming10
computational-chemistry10
parallel-computing10
chemistry9
c-language8
ec8
calc8
cprogramming-language8
quantum-chemistry7

Programming languages (13)

JavaSingularityC++CCMakeFortranTypeScriptJulia

Github contributions (5)

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nwchemgit/nwchem

Nov 2017 - Nov 2020

NWChem: Open Source High-Performance Computational Chemistry
Role in this project:
userBack-end Developer
Contributions:3 reviews, 13 commits, 12 pushes in 3 years
Contributions summary:Ajay primarily contributed to the GPU code within the NWChem repository, focusing on optimizations and bug fixes related to the CUDA and HIP implementations of the code. Their changes addressed shared memory buffer allocation, minor fixes, and adjustments to kernel functions. These changes appear to improve the performance and compatibility of the CCSD(T) GPU kernels, as indicated by messages referencing "larger tilesize" and "more fixes" for the GPU code.
chemistryelectronic-structure-calculationsfenicshartree-fockcomputational-science
Contributions:26 pushes, 1 branch in 7 years
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Ajay Panyala - Senior Computer Scientist at Pacific Northwest National Laboratory