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Ajay Panyala

Pacific Northwest National Laboratory

11H-index
56Paper Count
427Citation Count
Published Papers 16
Publication Date
Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems
err2025-12-01
err0
PREAI
errBauman, Nicholas P.; Pathak, Himadri; Liebenthal, Marcus D.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Govind, Niranjan; Kowalski, Karol
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Perspective on Many-Body Methods for Molecular Polaritonic Systems
err2025-10-17
err0
errOAAI
errNicholas Bauman; Leonardo A. Cunha; A. Eugene DePrince III; Johannes Flick; Jonathan J. Foley IV; Niranjan Govind; Gerrit Groenhof; Norah Hoffmann; Karol Kowalski; Xiaosong Li; Marcus Liebenthal; Neepa T. Maitra; Ruby Manderna; Mikuláš Matoušek; Ilia M. Mazin; Daniel Mejia-Rodriguez; Ajay Panyala; Bo Peng; Benjamin Peyton; Libor Veis; Nam Vu; Jared D. Weidman; Angela K. Wilson; Rhiannon A. Zarotiadis; Yu Zhang
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Projector-Based Quantum Embedding Study of Iron Complexes
err2025-01-29
err0
PREAI
errWaldrop, Jonathan M.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Windus, Theresa L.; Govind, Niranjan
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Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
err2024-11-22
err0
errOAAI
errPeng, Bo; Pathak, Himadri; Panyala, Ajay; Vila, Fernando D.; Rehr, John J.; Kowalski, Karol
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Electronic structure simulations in the cloud computing environment
err2024-10-21
err1
errOAAI
errBylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol
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Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory
err2024-01-30
err15
errOAAI
errVu, Nam; Mejia-Rodriguez, Daniel; Bauman, Nicholas P.; Panyala, Ajay; Mutlu, Erdal; Govind, Niranjan; Foley, Jonathan J.
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NWChem: Recent and Ongoing Developments
err2023-07-17
err12
PREAI
errMejia-Rodriguez, Daniel; Apra, Edoardo; Autschbach, Jochen; Bauman, Nicholas P.; Bylaska, Eric J.; Govind, Niranjan; Hammond, Jeff R.; Kowalski, Karol; Kunitsa, Alexander; Panyala, Ajay; Peng, Bo; Rehr, John J.; Song, Huajing; Tretiak, Sergei; Valiev, Marat; Vila, Fernando D.
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TAMM: Tensor algebra for many-body methods
err2023-07-10
err7
errOAAI
errMutlu, Erdal; Panyala, Ajay; Gawande, Nitin; Bagusetty, Abhishek; Glabe, Jeffrey; Kim, Jinsung; Kowalski, Karol; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Brabec, Jiri; Krishnamoorthy, Sriram
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PluginPlay: Enabling exascale scientific software one module at a time
err2023-05-12
err5
errOAAI
errRichard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L.
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High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
err2023-02-28
err14
errOAAI
errUnsleber, Jan P.; Liu, Hongbin; Talirz, Leopold; Weymuth, Thomas; Moerchen, Maximilian; Grofe, Adam; Wecker, Dave; Stein, Christopher J.; Panyala, Ajay; Peng, Bo; Kowalski, Karol; Troyer, Matthias; Reiher, Markus
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Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
err2022-08-01
err7
errOAAI
errVila, Fernando D.; Rehr, John J.; Pathak, Himadri; Peng, Bo; Panyala, Ajay; Mutlu, Erdal; Bauman, Nicholas P.; Kowalski, Karol
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NWChem: Past, present, and future
err2020-05-11
err543
errOAAI
errApra, E.; Bylaska, E. J.; de Jong, W. A.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.; van Dam, H. J. J.; Alexeev, Y.; Anchell, J.; Anisimov, V; Aquino, F. W.; Atta-Fynn, R.; Autschbach, J.; Bauman, N. P.; Becca, J. C.; Bernholdt, D. E.; Bhaskaran-Nair, K.; Bogatko, S.; Borowski, P.; Boschen, J.; Brabec, J.; Bruner, A.; Cauet, E.; Chen, Y.; Chuev, G. N.; Cramer, C. J.; Daily, J.; Deegan, M. J. O.; Dunning, T. H., Jr.; Dupuis, M.; Dyall, K. G.; Fann, G., I; Fischer, S. A.; Fonari, A.; Fruechtl, H.; Gagliardi, L.; Garza, J.; Gawande, N.; Ghosh, S.; Glaesemann, K.; Goetz, A. W.; Hammond, J.; Helms, V; Hermes, E. D.; Hirao, K.; Hirata, S.; Jacquelin, M.; Jensen, L.; Johnson, B. G.; Jonsson, H.; Kendall, R. A.; Klemm, M.; Kobayashi, R.; Konkov, V; Krishnamoorthy, S.; Krishnan, M.; Lin, Z.; Lins, R. D.; Littlefield, R. J.; Logsdail, A. J.; Lopata, K.; Ma, W.; Marenich, A., V; del Campo, J. Martin; Mejia-Rodriguez, D.; Moore, J. E.; Mullin, J. M.; Nakajima, T.; Nascimento, D. R.; Nichols, J. A.; Nichols, P. J.; Nieplocha, J.; Otero-de-la-Roza, A.; Palmer, B.; Panyala, A.; Pirojsirikul, T.; Peng, B.; Peverati, R.; Pittner, J.; Pollack, L.; Richard, R. M.; Sadayappan, P.; Schatz, G. C.; Shelton, W. A.; Silverstein, D. W.; Smith, D. M. A.; Soares, T. A.; Song, D.; Swart, M.; Taylor, H. L.; Thomas, G. S.; Tipparaju, V; Truhlar, D. G.; Tsemekhman, K.; Van Voorhis, T.; Vazquez-Mayagoitia, A.; Verma, P.; Villa, O.; Vishnu, A.; Vogiatzis, K. D.; Wang, D.; Weare, J. H.; Williamson, M. J.; Windus, T. L.; Wolinski, K.; Wong, A. T.; Wu, Q.; Yang, C.; Yu, Q.; Zacharias, M.; Zhang, Z.; Zhao, Y.; Harrison, R. J.
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Exploring performance and energy tradeoffs for irregular applications: A case study on the Tilera many-core architecture
err2017-06-01
err6
PREAI
errPanyala, Ajay; Chavarria-Miranda, Daniel; Manzano, Joseph B.; Tumeo, Antonino; Halappanavar, Mahantesh
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Algorithms for Balanced Graph Colorings with Applications in Parallel Computing
err2017-05-01
err15
errOAAI
errLu, Hao; Halappanavar, Mahantesh; Chavarria-Miranda, Daniel; Gebremedhin, Assefaw H.; Panyala, Ajay; Kalyanaraman, Ananth
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