Niranjan Govind - Publications, H-index & Citations

Niranjan Govind

pacific northwest national laboratory

53H指数

335论文数

1.6W被引数

收录论文 122

发表时间

Electronic and solvent reorganization in proton-coupled electron transfer captured by ultrafast X-rays 质子耦合电子转移中的电子和溶剂重组被超快X射线捕获

Nature Communications

IF15.7

2026-08-26

OAAI

Abdullah 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

Stability constants of lanthanide–nitrate complexes in aqueous solutions: a theoretical study 水溶液中硝酸镧系配合物的稳定常数：理论研究

Physical Chemistry Chemical Physics

IF2.9

2026-07-22

PREAI

Mohammadhasan Dinpajooh Corresponding Author; Niranjan Govind; Andrew M. Ritzmann; Nicolas E. Uhnak Corresponding Author

Comprehensive Experimental and Computational Spectroscopic Study of Electronic Coupling in Solvated Mixed Valence Multimetal Complexes Using Photons from the IR through X-rays 使用从红外到X射线的光子对溶剂化混合价态多金属配合物中电子耦合的综合性实验与计算光谱学研究

Journal of Physical Chemistry B

IF2.9

2026-01-01

PREAI

Zhaoyuan Yang; Amke Nimmrich; Amity Andersen; Daria Boglaienko; Benjamin I. Poulter; Wenqing Cao; Elisa Biasin; Niranjan Govind; Munira Khalil

A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2025-12-01

PREAI

Mejia-Rodriguez, Daniel; Govind, Niranjan

Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-12-01

PREAI

Bauman, Nicholas P.; Pathak, Himadri; Liebenthal, Marcus D.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Govind, Niranjan; Kowalski, Karol

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-11-01

PREAI

Alexeev, 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

Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism 解构手性：利用X射线圆二色性探查偶氮苯衍生物中的局域和非局域效应

The Journal of Physical Chemistry Letters

IF0

2025-10-30

OAAI

Ajay Khanna; Victor M. Freixas; Lei Xu; Jérémy R. Rouxel; Niranjan Govind; Marco Garavelli; Shaul Mukamel; Sergei Tretiak

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

Journal of Chemical Theory and Computation

IF5.5

2025-10-17

OAAI

Nicholas 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

Can Dithiolate Ligands Report Electronic Communication in Transuranium Complexes?二硫纶配体能报告超铀配合物中的电子通信吗？

Organometallics

IF2.9

2025-10-15

PREAI

Micah P. Prange; Niranjan Govind; Gabriel B. Hall

Quantifying d-d and Metal-Ligand Interactions across Distant Metal Sites as a Function of Ligand Architecture and Solvent

CHEMPHYSCHEM

IF2.2

2025-10-01

PREAI

Yang, Zhaoyuan; Andersen, Amity; Von Feldt, Lily; Poulter, Benjamin I.; Ribson, Ryan D.; Babicz Jr, Jeffrey T.; Sokaras, Dimosthenis; Biasin, Elisa; Govind, Niranjan; Khalil, Munira

Chiral population analysis: A real space visualization of X-ray circular dichroism 手性种群分析：X射线圆二色性真实空间可视化

Chem. Sci.

IF7.4

2025-08-01

OAAI

Victor Manuel Freixas Lemus; Jeremy Rouxel; Sergei Tretiak; Niranjan Govind; S. Mukamel

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression 利用线积分 nudged elastic band 方法与高斯过程回归加速瞬子理论

Journal of Chemical Theory and Computation

IF5.5

2025-07-17

PREAI

Chenghao Zhang; Amke Nimmrich; Britta A. Johnson; Gregory K. Schenter; Munira Khalil; Niranjan Govind

Projector-Based Quantum Embedding Study of Iron Complexes 基于投影仪的铁络合物量子嵌入研究

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-01-29

PREAI

Waldrop, Jonathan M.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Windus, Theresa L.; Govind, Niranjan

Local rare-earth dopant structure in a complex-oxide/semiconductor heterojunction: Molecular beam epitaxy grown Yb-doped SrTiO3 on Si(001)

PHYSICAL REVIEW B

IF3.7

2025-01-16

PREAI

Chambers, 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.

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025

NUCLEIC ACIDS RESEARCH

IF13.1

2024-11-22

OAAI

Wishart, 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.

Polaritonic Chemistry Using the Density Matrix Renormalization Group Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-10-23

OAAI

Matousek, Mikulas; Vu, Nam; Govind, Niranjan; Foley, Jonathan J.; Veis, Libor

Electronic structure simulations in the cloud computing environment 云计算环境下的电子结构模拟

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-10-21

OAAI

Bylaska, 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

The Curious Case of Pu+: Insight on 5f Orbital Activity from Inductively Coupled Plasma Tandem Mass Spectrometry (ICP-MS/MS) Reactions

INORGANIC CHEMISTRY

IF4.7

2024-10-14

PREAI

Cox, Richard M.; Bubas, Amanda R.; Melby, Kali M.; French, Amanda D.; Rodriguez, Michael J.; Prange, Micah P.; Govind, Niranjan

Metal-Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering S 1s3p共振非弹性x射线散射揭示的金属二硫烯的价激发态中的金属-配体共价键

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-10-08

OAAI

Larsen, Christopher B.; Ledbetter, Kathryn; Nascimento, Daniel R.; Biasin, Elisa; Qureshi, Muhammad; Nowak, Stanislaw H.; Sokaras, Dimosthenis; Govind, Niranjan; Cordones, Amy A.

Smaller Is Better: The Case for Lower-Order Iodoplumbate Species Dominating MAPbI3/Dimethylformamide Solutions

CHEMISTRY OF MATERIALS

IF7

2024-07-19

PREAI

Intan, 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.

研究方向