John A. Keith

University of Pittsburgh — United States

Materials Science · Physical Sciences

41h-index6.9kcitations187works1.72yr avg
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Research Topics

Machine Learning in Materials Science(50), Electrocatalysts for Energy Conversion(34), Advanced Chemical Physics Studies(32), CO2 Reduction Techniques and Catalysts(28), Catalytic Processes in Materials Science(22)

Publications187 total

Work Function Signatures of Oxide and Sulfide Formation on Cu–Ni Alloy Surfaces
The Journal of Physical Chemistry C·2026
Kohn-Sham density encoding rescues coupled cluster theory for strongly correlated molecules
arXiv (Cornell University)·2026Open Access
Kohn-Sham density encoding rescues coupled cluster theory for strongly correlated molecules
ArXiv.org·2026Open Access
Electrochemical Corrosion and Catalysis Dynamics of Tin Oxide during Water Oxidation
ACS Catalysis·2025· 1 citedOpen Access
Front Cover: Vibrational Partition Functions from Bond Order and Populations Relationships (ChemPhysChem 14/2025)
ChemPhysChem·2025Open Access
Vibrational Partition Functions from Bond Order and Populations Relationships
ChemPhysChem·2025Open Access
Vibrational Partition Functions from Bond Order and Populations Relationships
2025Open Access
Zero-point energies from bond orders and populations relationships
The Journal of Chemical Physics·2025· 1 cited
A focus on delocalization error poisoning the density-functional many-body expansion
Chemical Science·2025· 3 citedOpen Access
Small Data Machine Learning Approaches in Molecular and Materials Science
Chemical Reviews·2024· 9 cited
Zero-Point Energies from Bond Orders and Populations Relationships
2024
The fascinating world of polymer crystal hydrates: An overview
AIChE Journal·2024· 2 citedOpen Access
Understanding the Role of Corrosion and Reactive Oxygen Species in Electrochemical Ozone Production on Nickel and Antimony Doped Tin Oxide
ECS Meeting Abstracts·2024
A Co-Doping Materials Design Strategy for Selective Ozone Electrocatalysts
The Journal of Physical Chemistry Letters·2024· 3 citedOpen Access
The Fascinating World of Polymer Clathrate Hydrates: An Overview
2024Open Access
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production
ACS Catalysis·2024· 8 citedOpen Access
A Diversity Index to assess college engineering team performance
2024· 3 citedOpen Access
Diversity Index: A New Perspective on Engineering Capstone Projects
2024Open Access
Computational Insights into Water Oxidation Mechanisms on Rutile SnO2(110) that Form Ozone
2023Open Access
Interplay of catalyst corrosion and homogeneous reactive oxygen species in electrochemical ozone production
2023· 2 citedOpen Access
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Frequent Co-authors

Emily A. Carter(17), Timo Jacob(7), Michele Pavone(6), Yasemin Basdogan(6), Ana B. Muñoz‐García(5), Andrew M. Ritzmann(4), Jonas Oxgaard(4), William A. Goddard(4), Victor B. Oyeyemi(4), Mitchell C. Groenenboom(4), Kyle A. Grice(3), John R. Kitchin(3), Karthikeyan Saravanan(3), Patrick M. Henry(2), Clifford P. Kubiak(2), Wang Gao(2), J. Anton(2), Douglas C. Behenna(2), Justin T. Mohr(2), Sandy Ma(2)