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Journal of the American Chemical Society|January 21, 2022
Pathways for Electron Transfer at MgO-Water Interfaces from <i>Ab Initio</i> Molecular DynamicsZhutian Ding, Zachary K Goldsmith, Annabella SelloniACS Central Science|March 4, 2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode SurfacesZachary K Goldsmith, Maxim Secor, Sharon Hammes-SchifferFaraday Discussions|April 25, 2019
Theoretical analysis of the inverted region in photoinduced proton-coupled electron transferZachary K Goldsmith, Alexander V Soudackov, Sharon Hammes-SchifferJournal of the American Chemical Society|November 2, 2018
Theoretical Study of C-H Bond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-BenzoatesElvira R Sayfutyarova, Zachary K Goldsmith, Sharon Hammes-SchifferChemical Science|June 25, 2021
Effects of applied voltage on water at a gold electrode interface from <i>ab initio</i> molecular dynamicsZachary K Goldsmith, Marcos F Calegari Andrade, Annabella SelloniThe Journal of Chemical Physics|November 7, 2025
Voltage-dependent surface IR spectra of water at gold electrodes from machine-learned ab initio dipolesZachary K Goldsmith, Marcos F Calegari Andrade, Annabella SelloniJournal of the American Chemical Society|December 21, 2018
Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope EffectsZachary K Goldsmith, Yan Choi Lam, Alexander V Soudackov, et al.ACS Central Science|July 3, 2019
Brønsted Acid Scaling Relationships Enable Control Over Product Selectivity from O<sub>2</sub> Reduction with a Mononuclear Cobalt Porphyrin CatalystYu-Heng Wang, Patrick E Schneider, Zachary K Goldsmith, et al.Proceedings of the National Academy of Sciences of the United States of America|March 8, 2017
Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistryZachary K Goldsmith, Aparna K Harshan, James B Gerken, et al.Journal of Chemical Theory and Computation|February 24, 2026
An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in SolutionYujing Wei, John L Weber, James M Stevenson, et al.Pageof 2