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Roger Rousseau

oak ridge national laboratory

67H-index
386Paper Count
1.4WCitation Count
Published Papers 149
Publication Date
Protonation dynamics of confined ethanol–water mixtures in H-ZSM-5 from machine learning-driven metadynamics
err2025-12-23
err0
errOAAI
errPrincy Jarngal; Benjamin A. Jackson; Simuck F. Yuk; Difan Zhang; Mal-Soon Lee; Maria Cristina Menziani; Vassiliki-Alexandra Glezakou; Roger Rousseau; GiovanniMaria Piccini
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Interactions of Polar and Nonpolar Groups of Alcohols in Zeolite Pores
err2025-07-12
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errOAAI
errRuixue Zhao; Sungmin Kim; Mal-Soon Lee; Benjamin A. Jackson; Fuli Deng; Xiaomai Chen; Cong Zhou; Konstantin Khivantsev; Yue Liu; Vassiliki-Alexandra Glezakou; Roger Rousseau; Johannes A. Lercher
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Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution
err2024-11-22
err0
PREAI
errSummers, Thomas J.; Zhang, Difan; Sobrinho, Josiane A.; de Bettencourt-Dias, Ana; Rousseau, Roger; Glezakou, Vassiliki-Alexandra; Cantu, David C.
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Molecular Understanding of Nitrogen Oxide Fixation of Water-Lean Carbon Capture Solvents by Atomistic Modeling
err2024-07-08
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PREAI
errKollias, Loukas; Nguyen, Manh-Thuong; Allec, Sarah I.; Malhotra, Deepika; Zhang, Difan; Rousseau, Roger; Glezakou, Vassiliki-Alexandra; Koech, Phillip K.; Heldebrant, David J.
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Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy (vol 60, pg 3117, 2021)
err2024-06-26
err0
PREAI
errShiery, Richard C.; Fulton, John L.; Balasubramanian, Mahalingam; Nguyen, Manh-Thuong; Lu, Jun-Bo; Li, Jun; Rousseau, Roger; Glezakou, Vassiliki-Alexandra; Cantu, David C.
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Data Analytics for Catalysis Predictions: Are We Ready Yet?
err2024-05-08
err1
PREAI
errZhang, Difan; Smith, Brett; Wu, Haiyi; Nguyen, Manh-Thuong; Rousseau, Roger; Glezakou, Vassiliki-Alexandra
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A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy
err2024-05-01
err7
errOAAI
errShaw, Wendy J.; Kidder, Michelle K.; Bare, Simon R.; Delferro, Massimiliano; Morris, James R.; Toma, Francesca M.; Senanayake, Sanjaya D.; Autrey, Tom; Biddinger, Elizabeth J.; Boettcher, Shannon; Bowden, Mark E.; Britt, Phillip F.; Brown, Robert C.; Bullock, R. Morris; Chen, Jingguang G.; Daniel, Claus; Dorhout, Peter K.; Efroymson, Rebecca A.; Gaffney, Kelly J.; Gagliardi, Laura; Harper, Aaron S.; Heldebrant, David J.; Luca, Oana R.; Lyubovsky, Maxim; Male, Jonathan L.; Miller, Daniel J.; Prozorov, Tanya; Rallo, Robert; Rana, Rachita; Rioux, Robert M.; Sadow, Aaron D.; Schaidle, Joshua A.; Schulte, Lisa A.; Tarpeh, William A.; Vlachos, Dionisios G.; Vogt, Bryan D.; Weber, Robert S.; Yang, Jenny Y.; Arenholz, Elke; Helms, Brett A.; Huang, Wenyu; Jordahl, James L.; Karakaya, Canan; Kian, Kourosh (Cyrus); Kothandaraman, Jotheeswari; Lercher, Johannes; Liu, Ping; Malhotra, Deepika; Mueller, Karl T.; O'Brien, Casey P.; Palomino, Robert M.; Qi, Long; Rodriguez, Jose A.; Rousseau, Roger; Russell, Jake C.; Sarazen, Michele L.; Sholl, David S.; Smith, Emily A.; Stevens, Michaela Burke; Surendranath, Yogesh; Tassone, Christopher J.; Tran, Ba; Tumas, William; Walton, Krista S.
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Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects
err2024-03-11
err8
PREAI
errPurdy, Stephen C.; Collinge, Gregory; Zhang, Junyan; Borate, Shivangi N.; Unocic, Kinga A.; Wu, Qiyuan; Wegener, Evan C.; Kropf, A. Jeremy; Samad, Nohor River; Yuk, Simuck F.; Zhang, Difan; Habas, Susan; Krause, Theodore R.; Harris, James W.; Lee, Mal-Soon; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Sutton, Andrew D.; Li, Zhenglong
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Lithium-ion hopping weakens thermal stability of LiPF6 carbonate electrolytes
err2024-01-01
err4
errOAAI
errHan, Kee Sung; Lee, Mal -Soon; Kim, Namhyung; Choi, Daiwon; Chae, Sujong; Ryu, Jaegeon; Piccini, Giovannimaria; Rousseau, Roger; Thomsen, Edwin C.
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Exploring NaCl-PuCl3 molten salts with machine learning interatomic potentials and graph theory
err2023-12-01
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PREAI
errNguyen, Manh-Thuong; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Paviet, Patricia D.
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Proton Relay for the Rate Enhancement of Electrochemical Hydrogen Reactions at Heterogeneous Interfaces
err2023-11-17
err6
PREAI
errQiu, Yang; Ray, Debmalya; Yan, Litao; Li, Xiaohong; Song, Miao; Engelhard, Mark H.; Sun, Junming; Lee, Mal-Soon; Zhang, Xin; Nguyen, Manh-Thuong; Glezakou, Vassiliki-Alexandra; Wang, Yong; Rousseau, Roger; Shao, Yuyan
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Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites
errJACS AU
IF8.7
err2023-08-30
err3
errOAAI
errKim, Sungmin; Lee, Mal-Soon; Camaioni, Donald M.; Gutierrez, Oliver Y.; Glezakou, Vassiliki-Alexandra; Govind, Niranjan; Huthwelker, Thomas; Zhao, Ruixue; Rousseau, Roger; Fulton, John L.; Lercher, Johannes A.
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Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts
err2023-08-25
err13
errOAAI
errGinovska, Bojana; Gutierrez, Oliver Y.; Karkamkar, Abhi; Lee, Mal-Soon; Lercher, Johannes A.; Liu, Yue; Raugei, Simone; Rousseau, Roger; Shaw, Wendy J.
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Single-step conversion of ethanol into n-butene-rich olefins over metal catalysts supported on ZrO2-SiO2 mixed oxides
err2023-08-01
err5
errOAAI
errDagle, Vanessa Lebarbier; Collinge, Gregory; Rahmana, Mohammed; Winkelman, Austin; Hu, Wenda; Hu, Jian Zhi; Kovarik, Libor; Engelhard, Mark; Jocz, Jennifer; Wang, Yong; Lee, Mal-Soon; Glezakou, Vassiliki-Alexandra; Ray, Debmalya; Rousseau, Roger; Dagle, Robert
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Dynamically Formed Active Sites on Liquid Boron Oxide for Selective Oxidative Dehydrogenation of Propane
err2023-06-05
err7
errOAAI
errTian, Jinshu; Collinge, Gregory; Yuk, Simuck F. F.; Lin, Jindong; Glezakou, Vassiliki-Alexandra; Lee, Mal-Soon; Wang, Yong; Rousseau, Roger
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Enhancing CO2 Transport Across a PEEK-Ionene Membrane and Water-Lean Solvent Interface
err2023-05-24
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errOAAI
errWalter, Eric D.; Zhang, Difan; Chen, Ying; Sung Han, Kee; Bazak, J. David; Burton, Sarah; O'Harra, Kathryn; Hoyt, David W.; Bara, Jason E.; Malhotra, Deepika; Allec, Sarah I.; Glezakou, Vassiliki-Alexandra; Heldebrant, David J.; Rousseau, Roger
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Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water-Gas Shift Activity
err2023-05-05
err27
errOAAI
errChen, Linxiao; Allec, Sarah I.; Nguyen, Manh-Thuong; Kovarik, Libor; Hoffman, Adam S.; Hong, Jiyun; Meira, Debora; Shi, Honghong; Bare, Simon R.; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Szanyi, Janos
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Activation of Lattice and Adatom Oxygen by Highly Stable Ceria- Supported Cu Single Atoms
err2022-10-25
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errOAAI
errGarcia-Vargas, Carlos E.; Collinge, Gregory; Yun, Dongmin; Lee, Mal-Soon; Muravev, Valery; Su, Ya-Qiong; Pereira-Hernandez, Xavier Isidro; Jiang, Dong; Glezakou, Vassiliki-Alexandra; Hensen, Emiel J. M.; Rousseau, Roger; Datye, Abhaya K.; Wang, Yong
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