Emily A Carter

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 65

Top Topics

Electron Transfer

Molecular Dynamics

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Nature communications

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

Publications

Xuelan Wen, Jan-Niklas Boyn, John Mark P Martirez, Qing Zhao, Emily A Carter
Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions. Journal of chemical theory and computation (2024)
Ananth Govind Rajan, John Mark P Martirez, Emily A Carter
Strongly facet-dependent activity of iron-doped β-nickel oxyhydroxide for the oxygen evolution reaction. Physical chemistry chemical physics : PCCP 26 (20) (2024)
Ananth Govind Rajan, John Mark P Martirez, Emily A Carter
Strongly facet-dependent activity of iron-doped β-nickel oxyhydroxide for the oxygen evolution reaction. Physical chemistry chemical physics : PCCP (2024)
Xuelan Wen, Jan-Niklas Boyn, John Mark P Martirez, Qing Zhao, Emily A Carter
Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions. Journal of chemical theory and computation 20 (14) (2024)
Jin Cai, Qing Zhao, Wei-You Hsu, Chungseok Choi, Yang Liu, John Mark P Martirez, Chih Chen, Jin Huang, Emily A Carter, Yu Huang
Highly Selective Electrochemical Reduction of CO 2 into Methane on Nanotwinned Cu. Journal of the American Chemical Society (2023)
Pengcheng Chen, Dingxin Fan, Annabella Selloni, Emily A Carter, Craig B Arnold, Yunlong Zhang, Adam S Gross, James R Chelikowsky, Nan Yao
Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy. Nature communications 14 (1) (2023)
Jan-Niklas Boyn, Emily A Carter
Characterizing the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations. The journal of physical chemistry. B (2023)
John Mark P Martirez, Emily A Carter
Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water. Journal of the American Chemical Society (2023)
Jan-Niklas Boyn, Emily A Carter
Probing pH-Dependent Dehydration Dynamics of Mg and Ca Cations in Aqueous Solutions with Multi-Level Quantum Mechanics/Molecular Dynamics Simulations. Journal of the American Chemical Society (2023)
Emily A Carter, Mark A Johnson, Stephen R Leone
A Tribute to Michael R. Berman. The journal of physical chemistry. A 127 (24) (2023)
Pengcheng Chen, Dingxin Fan, Annabella Selloni, Emily A Carter, Craig B Arnold, Yunlong Zhang, Adam S Gross, James R Chelikowsky, Nan Yao
Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy. Nature communications 14 (1) (2023)
Emily A Carter, Mark A Johnson, Stephen R Leone
A Tribute to Michael R. Berman. The journal of physical chemistry. B 127 (24) (2023)
Matteo B Bertagni, Robert H Socolow, John Mark P Martirez, Emily A Carter, Chris Greig, Yiguang Ju, Tim Lieuwen, Michael E Mueller, Sankaran Sundaresan, Rui Wang, Mark A Zondlo, Amilcare Porporato
Minimizing the impacts of the ammonia economy on the nitrogen cycle and climate. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (2023)
Pengcheng Chen, Dingxin Fan, Annabella Selloni, Emily A Carter, Craig B Arnold, Yunlong Zhang, Adam S Gross, James R Chelikowsky, Nan Yao
Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy. Nature communications 14 (1) (2023)
Qing Zhao, John Mark P Martirez, Emily A Carter
Electrochemical Hydrogenation of CO on Cu(100): Insights from Accurate Multiconfigurational Wavefunction Methods. The journal of physical chemistry letters 13 (44) (2022)
Lin Yuan, Jingyi Zhou, Ming Zhang, Xuelan Wen, John Mark P Martirez, Hossein Robatjazi, Linan Zhou, Emily A Carter, Peter J Nordlander, Naomi J Halas
Plasmonic Photocatalysis with Chemically and Spatially Specific Antenna-Dual Reactor Complexes. ACS nano 16 (10) (2022)
Yigao Yuan, Linan Zhou, Hossein Robatjazi, Junwei Lucas Bao, Jingyi Zhou, Aaron Bayles, Lin Yuan, Minghe Lou, Minhan Lou, Suman Khatiwada, Emily A Carter, Peter J Nordlander, Naomi J Halas
Earth-abundant photocatalyst for H 2 generation from NH 3 with light-emitting diode illumination. Science (New York, N.Y.) 378 (6622) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Qing Zhao, John Mark P Martirez, Emily A Carter
Charting C-C coupling pathways in electrochemical CO 2 reduction on Cu(111) using embedded correlated wavefunction theory. Proceedings of the National Academy of Sciences of the United States of America 119 (44) (2022)
John Mark P Martirez, Emily A Carter
Projector-Free Capped-Fragment Scheme within Density Functional Embedding Theory for Covalent and Ionic Compounds. Journal of chemical theory and computation 17 (7) (2021)
Linan Zhou, Minhan Lou, Junwei Lucas Bao, Chao Zhang, Jun G Liu, John Mark P Martirez, Shu Tian, Lin Yuan, Dayne F Swearer, Hossein Robatjazi, Emily A Carter, Peter J Nordlander, Naomi J Halas
Hot carrier multiplication in plasmonic photocatalysis. Proceedings of the National Academy of Sciences of the United States of America 118 (20) (2021)
Qing Zhao, John Mark P Martirez, Emily A Carter
Revisiting Understanding of Electrochemical CO2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory. Journal of the American Chemical Society 143 (16) (2021)
Emily A Carter
Autobiography of Emily A. Carter. The journal of physical chemistry. A 125 (8) (2021)
John Mark P Martirez, Emily A Carter
Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO2 Cluster from Embedded Multiconfigurational Excited-State Theory. The journal of physical chemistry. A 125 (23) (2021)
Robert B Wexler, Gopalakrishnan Sai Gautam, Ellen B Stechel, Emily A Carter
Factors Governing Oxygen Vacancy Formation in Oxide Perovskites. Journal of the American Chemical Society 143 (33) (2021)
Pengcheng Chen, Dingxin Fan, Yunlong Zhang, Annabella Selloni, Emily A Carter, Craig B Arnold, David C Dankworth, Steven P Rucker, James R Chelikowsky, Nan Yao
Breaking a dative bond with mechanical forces. Nature communications 12 (1) (2021)
Olivia Y Long, Gopalakrishnan Sai Gautam, Emily A Carter
Assessing cathode property prediction via exchange-correlation functionals with and without long-range dispersion corrections. Physical chemistry chemical physics : PCCP 23 (43) (2021)
Qing Zhao, Xing Zhang, John Mark P Martirez, Emily A Carter
Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H2 Desorption from and CH4 Dissociation on Cu(111). Journal of chemical theory and computation 16 (11) (2020)
Shenzhen Xu, Emily A Carter
Oxidation State of GaP Photoelectrode Surfaces under Electrochemical Conditions for Photocatalytic CO2 Reduction. The journal of physical chemistry. B 124 (11) (2020)
Ananth Govind Rajan, John Mark P Martirez, Emily A Carter
Facet-Independent Oxygen Evolution Activity of Pure β-NiOOH: Different Chemistries Leading to Similar Overpotentials. Journal of the American Chemical Society 142 (7) (2020)
Qing Zhao, Emily A Carter
Revisiting Competing Paths in Electrochemical CO2 Reduction on Copper via Embedded Correlated Wavefunction Theory. Journal of chemical theory and computation 16 (10) (2020)
Junwei Lucas Bao, Emily A Carter
Rationalizing the Hot-Carrier-Mediated Reaction Mechanisms and Kinetics for Ammonia Decomposition on Ruthenium-Doped Copper Nanoparticles. Journal of the American Chemical Society 141 (34) (2019)
Dayne F Swearer, Hossein Robatjazi, John Mark P Martirez, Ming Zhang, Linan Zhou, Emily A Carter, Peter J Nordlander, Naomi J Halas
Plasmonic Photocatalysis of Nitrous Oxide into N2 and O2 Using Aluminum-Iridium Antenna-Reactor Nanoparticles. ACS nano 13 (7) (2019)
Zhu Chen, John Mark P Martirez, Percy Zahl, Emily A Carter, Bruce E Koel
Self-assembling of formic acid on the partially oxidized p(2 × 1) Cu(110) surface reconstruction at low coverages. The Journal of chemical physics 150 (4) (2019)
Shenzhen Xu, Emily A Carter
Optimal functionalization of a molecular electrocatalyst for hydride transfer. Proceedings of the National Academy of Sciences of the United States of America 116 (46) (2019)
Junwei Lucas Bao, Emily A Carter
Surface-Plasmon-Induced Ammonia Decomposition on Copper: Excited-State Reaction Pathways Revealed by Embedded Correlated Wavefunction Theory. ACS nano 13 (9) (2019)
Lesheng Li, Emily A Carter
Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers. Journal of the American Chemical Society 141 (26) (2019)
Shenzhen Xu, Emily A Carter
Balancing Competing Reactions in Hydride Transfer Catalysis via Catalyst Surface Doping: The Ionization Energy Descriptor. Journal of the American Chemical Society 141 (25) (2019)
Benjamin Foerster, Vincent A Spata, Emily A Carter, Carsten Sönnichsen, Stephan Link
Plasmon damping depends on the chemical nature of the nanoparticle interface. Science advances 5 (3) (2019)
Linan Zhou, Dayne F Swearer, Hossein Robatjazi, Alessandro Alabastri, Phillip Christopher, Emily A Carter, Peter J Nordlander, Naomi J Halas
Response to Comment on "Quantifying hot carrier and thermal contributions in plasmonic photocatalysis". Science (New York, N.Y.) 364 (6439) (2019)
Xing Zhang, Emily A Carter
Subspace Density Matrix Functional Embedding Theory: Theory, Implementation, and Applications to Molecular Systems. Journal of chemical theory and computation 15 (2) (2019)
Linan Zhou, Dayne F Swearer, Chao Zhang, Hossein Robatjazi, Hangqi Zhao, Luke Henderson, Liangliang Dong, Phillip Christopher, Emily A Carter, Peter J Nordlander, Naomi J Halas
Quantifying hot carrier and thermal contributions in plasmonic photocatalysis. Science (New York, N.Y.) 362 (6410) (2019)
Rongrong Yin, Yaolong Zhang, Florian Libisch, Emily A Carter, Hua Guo, Bin Jiang
Dissociative Chemisorption of O2 on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface. The journal of physical chemistry letters 9 (12) (2018)
Beatriz G Del Rio, Mohan Chen, Luis E González, Emily A Carter
Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn. The Journal of chemical physics 149 (9) (2018)
Martina Lessio, Thomas P Senftle, Emily A Carter
Hydride Shuttle Formation and Reaction with CO2 on GaP(110). ChemSusChem 11 (9) (2018)
Vincent A Spata, Emily A Carter
Mechanistic Insights into Photocatalyzed Hydrogen Desorption from Palladium Surfaces Assisted by Localized Surface Plasmon Resonances. ACS nano 12 (4) (2018)
Thomas P Senftle, Emily A Carter
The Holy Grail: Chemistry Enabling an Economically Viable CO2 Capture, Utilization, and Storage Strategy. Accounts of chemical research 50 (3) (2018)
Qi Ou, Emily A Carter
Potential Functional Embedding Theory with an Improved Kohn-Sham Inversion Algorithm. Journal of chemical theory and computation 14 (11) (2018)
Martina Lessio, Christoph Riplinger, Emily A Carter
Stability of surface protons in pyridine-catalyzed CO2 reduction at p-GaP photoelectrodes. Physical chemistry chemical physics : PCCP 18 (38) (2018)
Shenzhen Xu, Lesheng Li, Emily A Carter
Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor Photoelectrodes. Journal of the American Chemical Society 140 (48) (2018)
Xing Zhang, Emily A Carter
Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets. The Journal of chemical physics 148 (3) (2018)
Shenzhen Xu, Emily A Carter
2-Pyridinide as an Active Catalytic Intermediate for CO2 Reduction on p-GaP Photoelectrodes: Lifetime and Selectivity. Journal of the American Chemical Society 140 (28) (2018)
Leanne D Chen, Michal Bajdich, John Mark P Martirez, Caroline M Krauter, Joseph A Gauthier, Emily A Carter, Alan C Luntz, Karen Chan, Jens K Nørskov
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. Nature communications 9 (1) (2018)
Shenzhen Xu, Emily A Carter
Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction. Chemical reviews 119 (11) (2018)
John Mark P Martirez, Emily A Carter
Unraveling Oxygen Evolution on Iron-Doped β-Nickel Oxyhydroxide: The Key Role of Highly Active Molecular-like Sites. Journal of the American Chemical Society 141 (1) (2018)
Kuang Yu, Emily A Carter
Extending density functional embedding theory for covalently bonded systems. Proceedings of the National Academy of Sciences of the United States of America 114 (51) (2017)
Jin Cheng, Florian Libisch, Kuang Yu, Mohan Chen, Johannes M Dieterich, Emily A Carter
Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding. Journal of chemical theory and computation 13 (3) (2017)
Jin Cheng, Kuang Yu, Florian Libisch, Johannes M Dieterich, Emily A Carter
Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests. Journal of chemical theory and computation 13 (3) (2017)
Runmin Zhang, Luca Bursi, Joel D Cox, Yao Cui, Caroline M Krauter, Alessandro Alabastri, Alejandro Manjavacas, Arrigo Calzolari, Stefano Corni, Elisa Molinari, Emily A Carter, F Javier García de Abajo, Hui Zhang, Peter J Nordlander
How To Identify Plasmons from the Optical Response of Nanostructures. ACS nano 11 (7) (2017)
Anita Das, Thomas Müller, Felix Plasser, David B Krisiloff, Emily A Carter, Hans Lischka
Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene. Journal of chemical theory and computation 13 (6) (2017)
Johannes M Dieterich, William C Witt, Emily A Carter
libKEDF: An accelerated library of kinetic energy density functionals. Journal of computational chemistry 38 (17) (2017)
Beatriz G Del Rio, Johannes M Dieterich, Emily A Carter
Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids. Journal of chemical theory and computation 13 (8) (2017)
John Mark P Martirez, Emily A Carter
Prediction of a low-temperature N2 dissociation catalyst exploiting near-IR-to-visible light nanoplasmonics. Science advances 3 (12) (2017)
Thomas P Senftle, Emily A Carter
Theoretical Determination of Band Edge Alignments at the Water-CuInS2(112) Semiconductor Interface. Langmuir : the ACS journal of surfaces and colloids 33 (37) (2017)
John Mark P Martirez, Emily A Carter
Excited-State N2 Dissociation Pathway on Fe-Functionalized Au. Journal of the American Chemical Society 139 (12) (2017)