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Nicholas P. Bauman

united states department of energy (doe)

17H-index
78Paper Count
906Citation Count
Published Papers 32
Publication Date
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Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
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
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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The Foreword
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errBauman, Nicholas P.; Kowalski, Karol
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errSave
Exploring the nexus of many-body theories through neural network techniques: the tangent model
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2025-05-22
err0
errOAAI
errLiang, Senwei; Kowalski, Karol; Yang, Chao; Bauman, Nicholas P.
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Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-28
err0
PREAI
errBauman, Nicholas; Veis, Libor; Kowalski, Karol; Brabec, Jiri
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Effective many-body interactions in reduced-dimensionality spaces through neural network models
errPHYSICAL REVIEW RESEARCH
IF4.2
err2024-12-17
err0
errOAAI
errLiang, Senwei; Kowalski, Karol; Yang, Chao; Bauman, Nicholas P.
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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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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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errSave
Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
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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errSave
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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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
Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-06
err5
errOAAI
errKang, Christopher; Bauman, Nicholas P.; Krishnamoorthy, Sriram; Kowalski, Karol
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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
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
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errSave
Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-03-02
err12
errOAAI
errBauman, Nicholas P.; Kowalski, Karol
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errSave
Variational quantum eigensolver for approximate diagonalization of downfolded Hamiltonians using generalized unitary coupled cluster ansatz
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2021-06-16
err17
errOAAI
errNicholas, P. Bauman; Chladek, Jaroslav; Veis, Libor; Pittner, Jiri; Karol, Kowalski
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Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations
errFRONTIERS IN CHEMISTRY
IF4.2
err2021-03-18
err11
errOAAI
errBylaska, Eric J.; Song, Duo; Bauman, Nicholas P.; Kowalski, Karol; Claudino, Daniel; Humble, Travis S.
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errSave
Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-12-17
err27
PREAI
errBauman, Nicholas P.; Liu, Hongbin; Bylaska, Eric J.; Krishnamoorthy, Sriram; Low, Guang Hao; Granade, Christopher E.; Wiebe, Nathan; Baker, Nathan A.; Peng, Bo; Roetteler, Martin; Troyer, Matthias; Kowalski, Karol
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Index of multi-determinantal and multi-reference character in coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-15
err21
errOAAI
errBartlett, Rodney J.; Park, Young Choon; Bauman, Nicholas P.; Melnichuk, Ann; Ranasinghe, Duminda; Ravi, Moneesha; Perera, Ajith
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Research Directions

No research directions
Co-authors
Cooperation Journals
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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
R
Rodney J. Bartlett
H-index: 119 · Papers: 783
C
Christopher J. Cramer
H-index: 110 · Papers: 864
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