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Employment (2)

Pacific Northwest National Laboratory: Richland, WA, US

2018-03 to present | Staff Scientist (High Performance Computing Group, Advanced Computing, Mathematics, and Data Division)
Employment
Source: Self-asserted source
Ajay Panyala

Pacific Northwest National Laboratory: Richland, WA, US

2014-10 to 2017-12 | Post Doctorate Research Associate (High Performance Computing Group, Advanced Computing, Mathematics, and Data Division)
Employment
Source: Self-asserted source
Ajay Panyala

Education and qualifications (1)

Louisiana State University: Baton Rouge, LA, US

2007-08-17 to 2014-08-08 | Ph.D. (Computer Science)
Education
Source: Self-asserted source
Ajay Panyala

Works (30)

Projector‐Based Quantum Embedding Study of Iron Complexes

Journal of Computational Chemistry
2025-01-29 | Journal article
DOI: 10.1002/jcc.70043
Part of ISSN: 1096-987X
Contributors: Jonathan Waldrop; Ajay Panyala; Daniel Mejia-Rodriguez; Theresa L. Windus; Niranjan Govind
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green’s functions

The Journal of Chemical Physics
2024-11-28 | Journal article
DOI: 10.1063/5.0233339
Contributors: Bo Peng; Himadri Pathak; Ajay Panyala; Fernando D. Vila; John J. Rehr; Karol Kowalski
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Crossref

Electronic structure simulations in the cloud computing environment

The Journal of Chemical Physics
2024-10-21 | Journal article
DOI: 10.1063/5.0226437
Contributors: Eric J. Bylaska; Ajay Panyala; Nicholas P. Bauman; Bo Peng; Himadri Pathak; Daniel Mejia-Rodriguez; Niranjan Govind; David B. Williams-Young; Edoardo Aprà; Abhishek Bagusetty et al.
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Crossref

Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory

Journal of Chemical Theory and Computation
2024-01-30 | Journal article
DOI: 10.1021/acs.jctc.3c01207
Part of ISSN: 1549-9626
Contributors: Nam Vu; Daniel Mejia-Rodriguez; Nicholas P. Bauman; Ajay Panyala; Erdal Mutlu; Niranjan Govind; Jonathan Foley
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Navier: Dataflow Architecture for Computation Chemistry

2023-09-28 | Report
DOI: 10.2172/2203460
Contributors: Roberto Gioiosa; Edoardo Apra; Andres Marquez; Ajay Panyala; Rizwan Ashraf; Luanzheng Guo
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Crossref

NWChem: Recent and Ongoing Developments

Journal of Chemical Theory and Computation
2023-07-17 | Journal article
DOI: 10.1021/acs.jctc.3c00421
Part of ISSN: 1549-9626
Contributors: Daniel Mejia-Rodriguez; Edoardo Aprà; Jochen Autschbach; Nicholas P. Bauman; Eric Bylaska; Niranjan Govind; Jeff Hammond; Karol Kowalski; Alexander Kunitsa; Ajay Panyala et al.
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

TAMM: Tensor algebra for many-body methods

The Journal of Chemical Physics
2023-07-14 | Journal article
DOI: 10.1063/5.0142433
Contributors: Erdal Mutlu; Ajay Panyala; Nitin Gawande; Abhishek Bagusetty; Jeffrey Glabe; Jinsung Kim; Karol Kowalski; Nicholas P. Bauman; Bo Peng; Himadri Pathak et al.
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Crossref

ExaChem/exachem

2023-06 | Report
DOI: 10.11578/dc.20230628.1
OTHER-ID: 2375348
Contributors: Panyala, Ajay; ; Govind, Niri; ; Kowalski, Karol ; ; Bauman, Nicholas ; ; Peng, Bo ; ; Pathak, Himadri ; ; Mutlu, Erdal ; ; Mejia Rodriguez, Daniel ; ; Xantheas, Sotiris ; ; Krishnamoorthy, Sriram ; et al.
Source: Self-asserted source
Ajay Panyala via DOE OSTI.GOV

PluginPlay: Enabling exascale scientific software one module at a time

The Journal of Chemical Physics
2023-05-12 | Journal article | Author
DOI: 10.1063/5.0147903
Part of ISSN: 1089-7690
Contributors: Ryan M. Richard; KRISTOPHER KEIPERT; Jonathan Waldrop; Murat Keçeli; David Williams-Young; Raymond A Bair; Jeffery Boschen; Zachery Crandall; Kevin Gasperich; Quazi Ishtiaque Mahmud et al.
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green’s Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure

Journal of Chemical Theory and Computation
2023-04-05 | Journal article
DOI: 10.1021/acs.jctc.3c00045
Part of ISSN: 1549-9626
Contributors: Himadri Pathak; Ajay Panyala; Bo Peng; Nicholas P. Bauman; Erdal Mutlu; John Rehr; FERNANDO D. VILA; Karol Kowalski
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

The Journal of Chemical Physics
2023-02-28 | Journal article
DOI: 10.1063/5.0136526
Contributors: Jan P. Unsleber; Hongbin Liu; Leopold Talirz; Thomas Weymuth; Maximilian Mörchen; Adam Grofe; Dave Wecker; Christopher J. Stein; Ajay Panyala; Bo Peng et al.
Source: check_circle
Crossref

Towards Cross-Platform Portability of Coupled-Cluster Methods with Perturbative Triples using SYCL

2022 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC)
2022-11 | Conference paper
DOI: 10.1109/p3hpc56579.2022.00013
Contributors: Abhishek Bagusetty; Ajay Panyala; Gordon Brown; Jack Kirk
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer

The Journal of Chemical Physics
2022-07-28 | Journal article
DOI: 10.1063/5.0099192
Contributors: Fernando D. Vila; John J. Rehr; Himadri Pathak; Bo Peng; Ajay Panyala; Erdal Mutlu; Nicholas P. Bauman; Karol Kowalski
Source: check_circle
Crossref

GFCCLib: Scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems

Computer Physics Communications
2021-08 | Journal article
DOI: 10.1016/j.cpc.2021.108000
Contributors: Bo Peng; Ajay Panyala; Karol Kowalski; Sriram Krishnamoorthy
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Crossref

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape

Chemical Reviews
2021-03-31 | Journal article
DOI: 10.1021/acs.chemrev.0c00998
Part of ISSN: 1520-6890
Contributors: Karol Kowalski; Raymond A Bair; Nicholas P. Bauman; Jeffery S. Boschen; Eric Bylaska; Jeff Daily; Wibe de Jong; Thom H. Dunning, Jr.; Niranjan Govind; Robert J. Harrison et al.
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

A Parallel Approximation Algorithm for Maximizing Submodular <i>b</i>-Matching

SIAM Conference on Applied and Computational Discrete Algorithms (ACDA21)
2021-01 | Book chapter
DOI: 10.1137/1.9781611976830.5
Part of ISBN: 9781611976830
Contributors: S M Ferdous; Alex Pothen; Arif Khan; Ajay Panyala; Mahantesh Halappanavar
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Scalable Heterogeneous Execution of a Coupled-Cluster Model with Perturbative Triples

SC20: International Conference for High Performance Computing, Networking, Storage and Analysis
2020-11 | Conference paper
DOI: 10.1109/sc41405.2020.00083
Contributors: Jinsung Kim; Ajay Panyala; Bo Peng; Karol Kowalski; P. Sadayappan; Sriram Krishnamoorthy
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

NWChem: Past, present, and future

The Journal of Chemical Physics
2020-05-11 | Journal article
DOI: 10.1063/5.0004997
Part of ISSN: 1089-7690
Contributors: Edoardo Aprà; Eric Bylaska; Wibe de Jong; Niranjan Govind; Karol Kowalski; str ornl; Marat Valiev; H. J. J. van Dam; Yuri Alexeev; J. Anchell et al.
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments

The Journal of Chemical Physics
2020-01-02 | Journal article
DOI: 10.1063/1.5138658
Part of ISSN: 1089-7690
Contributors: Bo Peng; Karol Kowalski; Ajay Panyala; Sriram Krishnamoorthy
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

A Code Generator for High-Performance Tensor Contractions on GPUs

2019 IEEE/ACM International Symposium on Code Generation and Optimization (CGO)
2019-02 | Conference paper
DOI: 10.1109/cgo.2019.8661182
Contributors: Jinsung Kim; Aravind Sukumaran-Rajam; Vineeth Thumma; Sriram Krishnamoorthy; Ajay Panyala; Louis-Noel Pouchet; Atanas Rountev; P. Sadayappan
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

HPC Software Verification in Action: A Case Study with Tensor Transposition

2018-11 | Conference paper
DOI: 10.1109/Correctness.2018.00006
OTHER-ID: 1591770
Contributors: Mutlu, Erdal ; ; Panyala, Ajay R. (ORCID:0000000208463347); ; Krishnamoorthy, Sriram
Source: Self-asserted source
Ajay Panyala via DOE OSTI.GOV

Optimizing Tensor Contractions in CCSD(T) for Efficient Execution on GPUs

Proceedings of the 2018 International Conference on Supercomputing
2018-06-12 | Conference paper
DOI: 10.1145/3205289.3205296
Contributors: Jinsung Kim; Aravind Sukumaran-Rajam; Changwan Hong; Ajay Panyala; Rohit Kumar Srivastava; Sriram Krishnamoorthy; P. Sadayappan
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

TTLG - An Efficient Tensor Transposition Library for GPUs

2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS)
2018-05 | Conference paper
DOI: 10.1109/ipdps.2018.00067
Contributors: Jyothi Vedurada; Arjun Suresh; Aravind Sukumaran Rajam; Jinsung Kim; Changwan Hong; Ajay Panyala; Sriram Krishnamoorthy; V. Krishna Nandivada; Rohit Kumar Srivastava; P. Sadayappan
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Approximate Computing Techniques for Iterative Graph Algorithms

2017 IEEE 24th International Conference on High Performance Computing (HiPC)
2017-12 | Conference paper
DOI: 10.1109/hipc.2017.00013
Contributors: Ajay Panyala; Omer Subasi; Mahantesh Halappanavar; Ananth Kalyanaraman; Daniel Chavarria-Miranda; Sriram Krishnamoorthy
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Exploring performance and energy tradeoffs for irregular applications: A case study on the Tilera many-core architecture

Journal of Parallel and Distributed Computing
2017-06 | Journal article
DOI: 10.1016/j.jpdc.2016.06.006
Contributors: Ajay Panyala; Daniel Chavarría-Miranda; Joseph B. Manzano; Antonino Tumeo; Mahantesh Halappanavar
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Crossref

Algorithms for Balanced Graph Colorings with Applications in Parallel Computing

IEEE Transactions on Parallel and Distributed Systems
2017-05-01 | Journal article
DOI: 10.1109/tpds.2016.2620142
Part of ISSN: 1045-9219
Contributors: Hao Lu; Mahantesh Halappanavar; Daniel Chavarria-Miranda; Assefaw H. Gebremedhin; Ajay Panyala; Ananth Kalyanaraman
Source: Self-asserted source
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Optimizing irregular applications for energy and performance on the Tilera many-core architecture

Proceedings of the 12th ACM International Conference on Computing Frontiers
2015-05-06 | Conference paper
DOI: 10.1145/2742854.2742865
Contributors: Daniel Chavarría-Miranda; Ajay Panyala; Mahantesh Halappanavar; Joseph B. Manzano; Antonino Tumeo
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

Global transformations for legacy parallel applications via structural analysis and rewriting

Parallel Computing
2015-03 | Journal article
DOI: 10.1016/j.parco.2015.01.001
Part of ISSN: 0167-8191
Contributors: Daniel Chavarría-Miranda; Ajay Panyala; Wenjing Ma; Adrian Prantl; Sriram Krishnamoorthy
Source: Self-asserted source
Ajay Panyala via Crossref Metadata Search

On the use of term rewriting for performance optimization of legacy HPC applications

2012-09 | Conference paper
DOI: 10.1109/ICPP.2012.44
OTHER-ID: 1078013
Contributors: Panyala, Ajay R.; ; Chavarría-Miranda, Daniel; ; Krishnamoorthy, Sriram
Source: Self-asserted source
Ajay Panyala via DOE OSTI.GOV

COMPOSE-HPC: A Transformational Approach to Exascale

2012-04 | Report
DOI: 10.2172/1039242
OTHER-ID: 1039242
Contributors: Bernholdt, David E ; ; Allan, Benjamin A. ; ; Armstrong, Robert C. ; ; Chavarria-Miranda, Daniel ; ; Dahlgren, Tamara L. ; ; Elwasif, Wael R ; ; Epperly, Tom ; ; Foley, Samantha S ; ; Hulette, Geoffrey C. ; ; Krishnamoorthy, Sriram ; et al.
Source: Self-asserted source
Ajay Panyala via DOE OSTI.GOV

Peer review (1 review for 1 publication/grant)

Review activity for Parallel computing. (1)
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