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Daniel Mejı́a-Rodrı́guez

pacific northwest national laboratory

15H指数
59论文数
770被引数
收录论文 27
发表时间
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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A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits量子计算在量子化学中的应用:基于25-100逻辑量子比特的视角
err2025-11-01
err0
PREAI
errAlexeev, Yuri; Batista, Victor S.; Bauman, Nicholas; Bertels, Luke; Claudino, Daniel; Dutta, Rishab; Gagliardi, Laura; Godwin, Scott; Govind, Niranjan; Head-Gordon, Martin; Hermes, Matthew R.; Kowalski, Karol; Li, Ang; Liu, Chenxu; Liu, Junyu; Liu, Ping; Garcia-Lastra, Juan M.; Mejia-Rodriguez, Daniel; Mueller, Karl; Otten, Matthew; Peng, Bo; Raugas, Mark; Reiher, Markus; Rigor, Paul; Shaw, Wendy J.; Van Schilfgaarde, Mark; Vegge, Tejs; Zhang, Yu; Zheng, Muqing; Zhu, Linghua
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Perspective on Many-Body Methods for Molecular Polaritonic Systems多体方法在分子极化子系统中的应用视角
err2025-10-17
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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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Controlling N speciation in solution synthesis of N-doped carbon materials控制溶液合成法制备N掺杂碳材料中的N形态
err2025-09-09
err0
errOAAI
errByun, Mi Yeon; Liu, Lili; Mejia-Rodriguez, Daniel; Walter, Eric D.; Zhu, Zihua; Govind, Niri; Autrey, Tom; Sushko, Maria L.
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Projector-Based Quantum Embedding Study of Iron Complexes基于投影仪的铁络合物量子嵌入研究
err2025-01-29
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PREAI
errWaldrop, Jonathan M.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Windus, Theresa L.; Govind, Niranjan
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Electronic structure simulations in the cloud computing environment云计算环境下的电子结构模拟
err2024-10-21
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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
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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
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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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Basis Set Selection for Molecular Core-Level GW Calculations
err2022-07-11
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errOAAI
errMejia-Rodriguez, Daniel; Kunitsa, Alexander; Apra, Edoardo; Govind, Niranjan
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Barriers to predictive high-throughput screening for spin-crossover自旋交叉的预测性高通量筛选的障碍
err2022-04-01
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errOAAI
errMejia-Rodriguez, Daniel; Albavera-Mata, Angel; Fonseca, Eric; Chen, Dian-Teng; Cheng, H-p.; Hennig, Richard G. G.; Trickey, S. B.
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Scalable Molecular GW Calculations: Valence and Core Spectra
err2021-12-02
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errOAAI
errMejia-Rodriguez, Daniel; Kunitsa, Alexander; Apra, Edoardo; Govind, Niranjan
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Meta-GGA performance in solids at almost GGA cost
err2020-09-29
err55
errOAAI
errMejia-Rodriguez, Daniel; Trickey, S. B.
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Fully consistent density functional theory determination of the insulator-metal transition boundary in warm dense hydrogen
err2020-09-10
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errOAAI
errHinz, Joshua; Karasiev, Valentin V.; Hu, S. X.; Zaghoo, Mohamed; Mejia-Rodriguez, Daniel; Trickey, S. B.; Calderin, L.
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NWChem: Past, present, and futureNWChem: 过去、现在和未来
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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