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Bo Peng

united states department of energy (doe)

22H-index
90Paper Count
1.4KCitation Count
Published Papers 38
Publication Date
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A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
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
errJournal of Chemical Theory and Computation
IF5.5
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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Challenges related to elevated temperature during creep in a PM-HIP Ti-6Al-4 V alloy: The role of ( a ) dislocations and pyramidal (c plus a ) dislocations
errJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
IF14.3
err2025-04-01
err1
PREAI
errLiu, Zedong; Yang, Jieren; Peng, Bo; Ye, Jinwen; Liu, Ying; Du, Zhaoxin; Chen, Ruirun
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Quantum simulation of boson-related Hamiltonians: techniques, effective Hamiltonian construction, and error analysis
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2025-03-28
err1
errOAAI
errPeng, Bo; Su, Yuan; Claudino, Daniel; Kowalski, Karol; Hao Low, Guang; Roetteler, Martin
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errSave
GALIC: hybrid multi-qubitwise pauli grouping for quantum computing measurement
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2024-12-30
err0
errOAAI
errBurns, Matthew X.; Liu, Chenxu; Stein, Samuel; Peng, Bo; Kowalski, Karol; Li, Ang
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errSave
Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method
errNPJ QUANTUM INFORMATION
IF8.3
err2024-12-03
err0
errOAAI
errZheng, Muqing; Peng, Bo; Li, Ang; Yang, Xiu; Kowalski, Karol
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Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-11-22
err0
errOAAI
errPeng, Bo; Pathak, Himadri; Panyala, Ajay; Vila, Fernando D.; Rehr, John J.; Kowalski, Karol
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errSave
Electronic structure simulations in the cloud computing environment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
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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JCTC Early Career Board Selects
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-23
err0
PREAI
errBurton, Hugh G. A.; Dong, Sijia S.; Ghosh, Soumen; Gu, Bing; Jackson, Nicholas E.; Keefer, Daniel; Lu, Yangyi; Monroe, Jacob I.; Peng, Bo; Pieri, Elisa; Spackman, Peter R.; Vacher, Morgane; Vuckovic, Stefan; Williams-Young, David; Yang, Zhongyue J.; Yue, Shuwen; Zerze, Gul H.; Zhu, Tianyu
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errSave
The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-11
err1
PREAI
errKowalski, Karol; Peng, Bo; Bauman, Nicholas P.
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RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-29
err1
PREAI
errVila, Fernando D.; Rehr, John J.; Kowalski, Karol; Peng, Bo
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errSave
A Perspective on Sustainable Computational Chemistry Software Development and Integration
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-28
err22
errOAAI
errDi Felice, Rosa; Mayes, Maricris L.; Richard, Ryan M.; Williams-Young, David B.; Chan, Garnet Kin-Lic; de Jong, Wibe A.; Govind, Niranjan; Head-Gordon, Martin; Hermes, Matthew R.; Kowalski, Karol; Li, Xiaosong; Lischka, Hans; Mueller, Karl T.; Mutlu, Erdal; Niklasson, Anders M. N.; Pederson, Mark R.; Peng, Bo; Shepard, Ron; Valeev, Edward F.; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus, Theresa L.; Xantheas, Sotiris S.; Zhang, Xing; Zimmerman, Paul M.
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NWChem: Recent and Ongoing Developments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
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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errSave
TAMM: Tensor algebra for many-body methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
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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errSave
Quantum algorithms for generator coordinate methods
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-06-28
err3
errOAAI
errZheng, Muqing; Peng, Bo; Wiebe, Nathan; Li, Ang; Yang, Xiu; Kowalski, Karol
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errSave
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-05
err11
errOAAI
errPathak, Himadri; Panyala, Ajay; Peng, Bo; Bauman, Nicholas P.; Mutlu, Erdal; Rehr, John J.; Vila, Fernando D.; Kowalski, Karol
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errSave
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
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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errSave
Mapping renormalized coupled cluster methods to quantum computers through a compact unitary representation of nonunitary operators
errPHYSICAL REVIEW RESEARCH
IF4.2
err2022-12-08
err9
errOAAI
errPeng, Bo; Kowalski, Karol
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errSave
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-01
err7
errOAAI
errVila, Fernando D.; Rehr, John J.; Pathak, Himadri; Peng, Bo; Panyala, Ajay; Mutlu, Erdal; Bauman, Nicholas P.; Kowalski, Karol
errShare
errSave
Real-Time Equation-of-Motion CCSD Cumulant Green's Function
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-02-14
err16
PREAI
errVila, F. D.; Kowalski, K.; Peng, B.; Kas, J. J.; Rehr, J. J.
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
G
George C. Schatz
H-index: 156 · Papers: 1.7K
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
C
Christopher J. Cramer
H-index: 110 · Papers: 864
燕
燕召 (Yan Zhao)
H-index: 98 · Papers: 895
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