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Niranjan Govind

pacific northwest national laboratory

53H-index
332Paper Count
1.6WCitation Count
Published Papers 119
Publication Date
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Electronic and solvent reorganization in proton-coupled electron transfer captured by ultrafast X-rays
errNature Communications
IF15.7
err2026-08-26
err0
errOAAI
errAbdullah Kahraman; Michael Sachs; Soumen Ghosh; Benjamin I. Poulter; Estefanía Sucre-Rosales; Elizabeth S. Ryland; Douglas Garratt; Sumana L. Raj; Natalia Powers-Riggs; Subhradip Kundu; Christina Y. Hampton; David J. Hoffman; Giacomo Coslovich; Georgi L. Dakovski; Patrick L. Kramer; Matthieu Chollet; Roberto Alonso-Mori; Tim B. van Driel; Sang-Jun Lee; Kristjan Kunnus; Amy A. Cordones; Robert W. Schoenlein; Eric Vauthey; Amity Andersen; Niranjan Govind; Christopher B. Larsen; Elisa Biasin
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A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errMejia-Rodriguez, Daniel; Govind, Niranjan
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errSave
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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errSave
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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Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism
errThe Journal of Physical Chemistry Letters
IF0
err2025-10-30
err0
errOAAI
errAjay Khanna; Victor M. Freixas; Lei Xu; Jérémy R. Rouxel; Niranjan Govind; Marco Garavelli; Shaul Mukamel; Sergei Tretiak
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errSave
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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errSave
Can Dithiolate Ligands Report Electronic Communication in Transuranium Complexes?
errOrganometallics
IF2.9
err2025-10-15
err0
PREAI
errMicah P. Prange; Niranjan Govind; Gabriel B. Hall
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errSave
Quantifying d-d and Metal-Ligand Interactions across Distant Metal Sites as a Function of Ligand Architecture and Solvent
errCHEMPHYSCHEM
IF2.2
err2025-10-01
err0
PREAI
errYang, Zhaoyuan; Andersen, Amity; Von Feldt, Lily; Poulter, Benjamin I.; Ribson, Ryan D.; Babicz Jr, Jeffrey T.; Sokaras, Dimosthenis; Biasin, Elisa; Govind, Niranjan; Khalil, Munira
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Chiral population analysis: A real space visualization of X-ray circular dichroism
errChem. Sci.
IF7.4
err2025-08-01
err0
errOAAI
errVictor Manuel Freixas Lemus; Jeremy Rouxel; Sergei Tretiak; Niranjan Govind; S. Mukamel
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errSave
Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-17
err0
PREAI
errChenghao Zhang; Amke Nimmrich; Britta A. Johnson; Gregory K. Schenter; Munira Khalil; Niranjan Govind
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errSave
Projector-Based Quantum Embedding Study of Iron Complexes
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-29
err0
PREAI
errWaldrop, Jonathan M.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Windus, Theresa L.; Govind, Niranjan
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errSave
Local rare-earth dopant structure in a complex-oxide/semiconductor heterojunction: Molecular beam epitaxy grown Yb-doped SrTiO3 on Si(001)
errPHYSICAL REVIEW B
IF3.7
err2025-01-16
err0
PREAI
errChambers, Scott A.; Ramirez, Enrique; Guragain, Deepa; Ngai, Joseph H.; Sushko, Peter, V; Koirala, Krishna P.; Du, Yingge; Govind, Niranjan; Bowden, Mark E.; Biswas, Deepnarayan; Lee, Tien-Lin; Weiland, Conan; Woicik, Joseph C.
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errSave
The Natural Products Magnetic Resonance Database (NP-MRD) for 2025
errNUCLEIC ACIDS RESEARCH
IF13.1
err2024-11-22
err1
errOAAI
errWishart, David S.; Sajed, Tanvir; Pin, Matthew; Poynton, Ella F.; Goel, Bharat; Lee, Brian L.; Guo, An Chi; Saha, Sukanta; Sayeeda, Zinat; Han, Scott; Berjanskii, Mark; Peters, Harrison; Oler, Eponine; Gautam, Vasuk; Jordan, Tamara; Kim, Jonghyeok; Ledingham, Benjamin; Tretter, Zachary M.; Koller, James T.; Shreffler, Hailey A.; Stillwell, Lillian R.; Jystad, Amy M.; Govind, Niranjan; Bade, Jessica L.; Sumner, Lloyd W.; Linington, Roger G.; Cort, John R.
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Polaritonic Chemistry Using the Density Matrix Renormalization Group Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-23
err3
errOAAI
errMatousek, Mikulas; Vu, Nam; Govind, Niranjan; Foley, Jonathan J.; Veis, Libor
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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 Curious Case of Pu+: Insight on 5f Orbital Activity from Inductively Coupled Plasma Tandem Mass Spectrometry (ICP-MS/MS) Reactions
errINORGANIC CHEMISTRY
IF4.7
err2024-10-14
err0
PREAI
errCox, Richard M.; Bubas, Amanda R.; Melby, Kali M.; French, Amanda D.; Rodriguez, Michael J.; Prange, Micah P.; Govind, Niranjan
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errSave
Metal-Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-10-08
err0
errOAAI
errLarsen, Christopher B.; Ledbetter, Kathryn; Nascimento, Daniel R.; Biasin, Elisa; Qureshi, Muhammad; Nowak, Stanislaw H.; Sokaras, Dimosthenis; Govind, Niranjan; Cordones, Amy A.
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Smaller Is Better: The Case for Lower-Order Iodoplumbate Species Dominating MAPbI3/Dimethylformamide Solutions
errCHEMISTRY OF MATERIALS
IF7
err2024-07-19
err0
PREAI
errIntan, Nadia N.; Sorenson, Blaire A.; Choi, Yong Kyu; Choi, Joshua J.; Fulton, John L.; Govind, Niranjan; Kelly, Shelly D.; Schenter, Gregory K.; Clancy, Paulette; Mundy, Christopher J.
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WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-03
err1
errOAAI
errLoreti, Alessandro; Freixas, Victor Manuel; Avagliano, Davide; Segatta, Francesco; Song, Huajing; Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur
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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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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
D
David S. Wishart
H-index: 140 · Papers: 828
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
C
Chongmin Wang
H-index: 129 · Papers: 748
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