Vassiliki-Alexandra Glezakou

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 51

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

JACS Au

Chemical reviews

Pacific Northwest National Laboratory

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Pacific Northwest National Laboratory Jun 14 2004

United States

Chief Scientist :: PCSD/Chemical Physics and Analysis

Publications

Stephen C Purdy, Gregory Collinge, Junyan Zhang, Shivangi N Borate, Kinga A Unocic, Qiyuan Wu, Evan C Wegener, Arthur Jeremy Kropf, Nohor River Samad, Simuck F Yuk, Difan Zhang, Susan E Habas, Theodore R Krause, James W Harris, Mal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, Andrew D Sutton, Zhenglong Li
Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects. Journal of the American Chemical Society (2024)
Riddhi R Golwankar, Alexander C Ervin, Małgorzata Z Makoś, Emily R Mikeska, Vassiliki-Alexandra Glezakou, James D Blakemore
Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes. Journal of the American Chemical Society 146 (14) (2024)
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy". Inorganic chemistry (2024)
Stephen C Purdy, Gregory Collinge, Junyan Zhang, Shivangi N Borate, Kinga A Unocic, Qiyuan Wu, Evan C Wegener, Arthur Jeremy Kropf, Nohor River Samad, Simuck F Yuk, Difan Zhang, Susan E Habas, Theodore R Krause, James W Harris, Mal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, Andrew D Sutton, Zhenglong Li
Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects. Journal of the American Chemical Society 146 (12) (2024)
Riccardo Candeago, Hanyu Wang, Manh-Thuong Nguyen, Mathieu Doucet, Vassiliki-Alexandra Glezakou, James F Browning, Xiao Su
Unraveling the Role of Solvation and Ion Valency on Redox-Mediated Electrosorption through In Situ Neutron Reflectometry and Ab Initio Molecular Dynamics. JACS Au 4 (3) (2024)
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy". Inorganic chemistry 63 (27) (2024)
Riccardo Candeago, Hanyu Wang, Manh-Thuong Nguyen, Mathieu Doucet, Vassiliki-Alexandra Glezakou, James F Browning, Xiao Su
Unraveling the Role of Solvation and Ion Valency on Redox-Mediated Electrosorption through In Situ Neutron Reflectometry and Ab Initio Molecular Dynamics. JACS Au 4 (3) (2024)
Riddhi R Golwankar, Alexander C Ervin, Małgorzata Z Makoś, Emily R Mikeska, Vassiliki-Alexandra Glezakou, James D Blakemore
Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes. Journal of the American Chemical Society (2024)
Oliva M Primera-Pedrozo, Shuai Tan, Difan Zhang, Brian T O'Callahan, Wenjin Cao, Eric T Baxter, Xue-Bin Wang, Patrick Z El-Khoury, Venkateshkumar Prabhakaran, Vassiliki-Alexandra Glezakou, Grant E Johnson
Influence of surface and intermolecular interactions on the properties of supported polyoxometalates. Nanoscale 15 (12) (2023)
Oliva M Primera-Pedrozo, Shuai Tan, Difan Zhang, Brian T O'Callahan, Wenjin Cao, Eric T Baxter, Xue-Bin Wang, Patrick Z El-Khoury, Venkateshkumar Prabhakaran, Vassiliki-Alexandra Glezakou, Grant E Johnson
Influence of surface and intermolecular interactions on the properties of supported polyoxometalates. Nanoscale 15 (12) (2023)
Eric D Walter, Difan Zhang, Ying Chen, Kee Sung Han, J David Bazak, Sarah D Burton, Kathryn E O'Harra, David W Hoyt, Jason E Bara, Deepika Malhotra, Sarah I Allec, Vassiliki-Alexandra Glezakou, David J Heldebrant, Roger Rousseau
Enhancing CO 2 Transport Across a PEEK-Ionene Membrane and Water-Lean Solvent Interface. ChemSusChem (2023)
Linxiao Chen, Sarah I Allec, Manh-Thuong Nguyen, Libor Kovarik, Adam S Hoffman, Jiyun Hong, Debora Meira, Honghong Shi, Simon R Bare, Vassiliki-Alexandra Glezakou, Roger Rousseau, János Szanyi
Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water-Gas Shift Activity. Journal of the American Chemical Society (2023)
Linxiao Chen, Sarah I Allec, Manh-Thuong Nguyen, Libor Kovarik, Adam S Hoffman, Jiyun Hong, Debora Meira, Honghong Shi, Simon R Bare, Vassiliki-Alexandra Glezakou, Roger Rousseau, János Szanyi
Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water-Gas Shift Activity. Journal of the American Chemical Society 145 (19) (2023)
Vassiliki-Alexandra Glezakou, Roger Rousseau, Tong Lin
Introduction: Self-Healing in Chemical Systems. Chemical reviews 123 (2) (2023)
Yang Qiu, Debmalya Ray, Litao Yan, Xiaohong Li, Miao Song, Mark H Engelhard, Junming Sun, Mal-Soon Lee, Xin Zhang, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Yong Wang, Roger Rousseau, Yuyan Shao
Proton Relay for the Rate Enhancement of Electrochemical Hydrogen Reactions at Heterogeneous Interfaces. Journal of the American Chemical Society (2023)
Manh-Thuong Nguyen, Carlos A Fernandez, Md Mostofa Haider, Kung-Hui Chu, Guoqing Jian, Somayeh Nassiri, Difan Zhang, Roger Rousseau, Vassiliki-Alexandra Glezakou
Toward Self-Healing Concrete Infrastructure: Review of Experiments and Simulations across Scales. Chemical reviews (2023)
Sung Min Kim, Mal-Soon Lee, Donald M Camaioni, Oliver Y Gutiérrez, Vassiliki-Alexandra Glezakou, Niranjan Govind, Thomas Huthwelker, Ruixue Zhao, Roger Rousseau, John L Fulton, Johannes A Lercher
Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites. JACS Au 3 (9) (2023)
Oliva M Primera-Pedrozo, Shuai Tan, Difan Zhang, Brian T O'Callahan, Wenjin Cao, Eric T Baxter, Xue-Bin Wang, Patrick Z El-Khoury, Venkateshkumar Prabhakaran, Vassiliki-Alexandra Glezakou, Grant E Johnson
Influence of surface and intermolecular interactions on the properties of supported polyoxometalates. Nanoscale (2023)
Loukas Kollias, Roger Rousseau, Vassiliki-Alexandra Glezakou, Matteo Salvalaglio
Understanding Metal-Organic Framework Nucleation from a Solution with Evolving Graphs. Journal of the American Chemical Society 144 (25) (2022)
Loukas Kollias, Difan Zhang, Sarah I Allec, Manh-Thuong Nguyen, Mal-Soon Lee, David C Cantu, Roger Rousseau, Vassiliki-Alexandra Glezakou
Advanced Theory and Simulation to Guide the Development of CO 2 Capture Solvents. ACS omega 7 (15) (2022)
Małgorzata Zofia Makoś, Pradeep Kumar Gurunathan, Simone Raugei, Karol Kowalski, Vassiliki-Alexandra Glezakou, Roger Rousseau
Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase. The journal of physical chemistry letters 13 (42) (2022)
Shuai Tan, Difan Zhang, Manh-Thuong Nguyen, Vaithiyalingam Shutthanandan, Tamas Varga, Roger Rousseau, Grant E Johnson, Vassiliki-Alexandra Glezakou, Venkateshkumar Prabhakaran
Tuning the Charge and Hydrophobicity of Graphene Oxide Membranes by Functionalization with Ionic Liquids at Epoxide Sites. ACS applied materials & interfaces 14 (16) (2022)
Gabriel A Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau, Chris-Kriton Skylaris
Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models. Journal of chemical theory and computation 18 (3) (2022)
Manh-Thuong Nguyen, Jun Zhang, Venkateshkumar Prabhakaran, Shuai Tan, Eric T Baxter, Vaithiyalingam Shutthanandan, Grant E Johnson, Roger Rousseau, Vassiliki-Alexandra Glezakou
Graphene Oxide as a Pb(II) Separation Medium: Has Part of the Story Been Overlooked? JACS Au 1 (6) (2021)
Insu Lee, Mal-Soon Lee, Lei Tao, Takaaki Ikuno, Rachit Khare, Andreas Jentys, Thomas Huthwelker, Camelia N Borca, Aleksandr Kalinko, Oliver Y Gutiérrez, Niranjan Govind, John L Fulton, Jian Zhi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Maricruz Sanchez-Sanchez, Johannes A Lercher
Activity of Cu-Al-Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites. JACS Au 1 (9) (2021)
Emanuele Grifoni, GiovanniMaria Piccini, Johannes A Lercher, Vassiliki-Alexandra Glezakou, Roger Rousseau, Michele Parrinello
Confinement effects and acid strength in zeolites. Nature communications 12 (1) (2021)
Yifeng Zhu, Simuck F Yuk, Jian Zheng, Manh-Thuong Nguyen, Mal-Soon Lee, János Szanyi, Libor Kovarik, Zihua Zhu, Mahalingam Balasubramanian, Vassiliki-Alexandra Glezakou, John L Fulton, Johannes A Lercher, Roger Rousseau, Oliver Y Gutiérrez
Environment of Metal-O-Fe Bonds Enabling High Activity in CO2 Reduction on Single Metal Atoms and on Supported Nanoparticles. Journal of the American Chemical Society 143 (14) (2021)
Jun-Bo Lu, David C Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jun Li
Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments. Journal of chemical theory and computation 17 (6) (2021)
Manh-Thuong Nguyen, Roger Rousseau, Patricia D Paviet, Vassiliki-Alexandra Glezakou
Actinide Molten Salts: A Machine-Learning Potential Molecular Dynamics Study. ACS applied materials & interfaces 13 (45) (2021)
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy. Inorganic chemistry 60 (5) (2021)
Udishnu Sanyal, Simuck F Yuk, Katherine Koh, Mal-Soon Lee, Kelsey A Stoerzinger, Difan Zhang, Laura C Meyer, Juan A Lopez-Ruiz, Abhi Karkamkar, Jamie D Holladay, Donald M Camaioni, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau, Oliver Y Gutiérrez, Johannes A Lercher
Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase. Angewandte Chemie (International ed. in English) 60 (1) (2020)
Gabriel A Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau, Chris-Kriton Skylaris
Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of chemical theory and computation 16 (4) (2020)
Jun Zhang, Eric T Baxter, Manh-Thuong Nguyen, Venkateshkumar Prabhakaran, Roger Rousseau, Grant E Johnson, Vassiliki-Alexandra Glezakou
Structure and Stability of the Ionic Liquid Clusters [EMIM]n[BF4]n+1- (n = 1-9): Implications for Electrochemical Separations. The journal of physical chemistry letters 11 (16) (2020)
Daniela Polino, Emanuele Grifoni, Roger Rousseau, Michele Parrinello, Vassiliki-Alexandra Glezakou
How Collective Phenomena Impact CO2 Reactivity and Speciation in Different Media. The journal of physical chemistry. A 124 (20) (2020)
Peng Gao, Jun Zhang, Qian Peng, Jie Zhang, Vassiliki-Alexandra Glezakou
General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT. Journal of chemical information and modeling 60 (8) (2020)
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou, Roger Rousseau
Correction to Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments. Journal of chemical theory and computation 16 (7) (2020)
Jun Zhang, Vassiliki-Alexandra Glezakou, Roger Rousseau, Manh-Thuong Nguyen
NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems. Journal of chemical theory and computation 16 (6) (2020)
Gabriel Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau, Chris-Kriton Skylaris
Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of chemical theory and computation 16 (7) (2020)
Sneha A Akhade, Nirala Singh, Oliver Y Gutiérrez, Juan A Lopez-Ruiz, Huamin Wang, Jamie D Holladay, Yue Liu, Abhijeet Karkamkar, Robert S Weber, Asanga B Padmaperuma, Mal-Soon Lee, Greg A Whyatt, Michael Elliott, Johnathan E Holladay, Jonathan L Male, Johannes A Lercher, Roger Rousseau, Vassiliki-Alexandra Glezakou
Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review. Chemical reviews 120 (20) (2020)
Meng Wang, Nicholas R Jaegers, Mal-Soon Lee, Chuan Wan, Jian Zhi Hu, Hui Shi, Donghai Mei, Sarah D Burton, Donald M Camaioni, Oliver Y Gutiérrez, Vassiliki-Alexandra Glezakou, Roger Rousseau, Yong Wang, Johannes A Lercher
Genesis and Stability of Hydronium Ions in Zeolite Channels. Journal of the American Chemical Society 141 (8) (2019)
Loukas Kollias, David C Cantu, Marcus A Tubbs, Roger Rousseau, Vassiliki-Alexandra Glezakou, Matteo Salvalaglio
Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation. Journal of the American Chemical Society 141 (14) (2019)
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou, Roger Rousseau
Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments. Journal of chemical theory and computation 15 (11) (2019)
Guoju Yang, Sneha A Akhade, Xi Chen, Yue Liu, Mal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, Johannes A Lercher
The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase. Angewandte Chemie (International ed. in English) 58 (11) (2019)
Katherine Koh, Udishnu Sanyal, Mal-Soon Lee, Guanhua Cheng, Miao Song, Vassiliki-Alexandra Glezakou, Yue Liu, Dongsheng Li, Roger Rousseau, Oliver Y Gutiérrez, Abhijeet Karkamkar, Miroslaw Derewinski, Johannes A Lercher
Electrochemically Tunable Proton-Coupled Electron Transfer in Pd-Catalyzed Benzaldehyde Hydrogenation. Angewandte Chemie (International ed. in English) 59 (4) (2019)
Mal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, B Peter McGrail
Molecular Simulation of the Catalytic Regeneration of nBuLi through a Hydrometalation Route. Inorganic chemistry 58 (5) (2019)
Xiao-Ying Yu, Juan Yao, David B Lao, David J Heldebrant, Zihua Zhu, Deepika Malhotra, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau
Mesoscopic Structure Facilitates Rapid CO2 Transport and Reactivity in CO2 Capture Solvents. The journal of physical chemistry letters 9 (19) (2018)
Zbynek Novotny, Manh-Thuong Nguyen, Falko P Netzer, Vassiliki-Alexandra Glezakou, Roger Rousseau, Zdenek Dohnálek
Formation of Supported Graphene Oxide: Evidence for Enolate Species. Journal of the American Chemical Society 140 (15) (2018)
Manh-Thuong Nguyen, Zheming Wang, Kenton A Rod, M Ian Childers, Carlos A Fernandez, Phillip K Koech, Wendy D Bennett, Roger Rousseau, Vassiliki-Alexandra Glezakou
Atomic Origins of the Self-Healing Function in Cement-Polymer Composites. ACS applied materials & interfaces 10 (3) (2018)
Vassiliki-Alexandra Glezakou, Roger Rousseau, Stephen T Elbert, James A Franz
Trends in Homolytic Bond Dissociation Energies of Five- and Six-Coordinate Hydrides of Group 9 Transition Metals: Co, Rh, Ir. The journal of physical chemistry. A 121 (9) (2017)
Deepika Malhotra, Phillip K Koech, David J Heldebrant, David C Cantu, Feng Zheng, Vassiliki-Alexandra Glezakou, Roger Rousseau
Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up. ChemSusChem 10 (3) (2017)
David J Heldebrant, Phillip K Koech, Vassiliki-Alexandra Glezakou, Roger Rousseau, Deepika Malhotra, David C Cantu
Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook. Chemical reviews 117 (14) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Vassiliki-Alexandra Glezakou