John Keith

20PUBLICATIONS
46CO-AUTHORS
Condensed matter modelling and density functional theoryNonlinear optics and spectroscopyTransport properties and non-equilibrium processesStatistical mechanics in chemistryTheoretical quantum chemistry
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Publications (20)

|Oct 14, 2026
Improving coupled cluster theory for strongly correlated molecules with Kohn-Sham density encoding.

|Apr 29, 2026
A Comprehensive Benchmark Database of Per- and Polyfluoroalkyl Substance Properties from Quantum Mechanical Methods.

|Nov 13, 2025
Electrochemical Corrosion and Catalysis Dynamics of Tin Oxide during Water Oxidation.

Rayan Alaufey, Lingyan Zhao, Christina Lents

|Apr 22, 2025
Vibrational Partition Functions from Bond Order and Populations Relationships.

Barbaro Zulueta, John A Keith

|Feb 24, 2025
Zero-point energies from bond orders and populations relationships.

Barbaro Zulueta, Colin D Rude, Jesse A Mangiardi

|Jul 11, 2024
A Co-Doping Materials Design Strategy for Selective Ozone Electrocatalysts.

Rayan Alaufey, John A Keith, Maureen Tang

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Frequent Collaborators

3 joint publications

Maureen Tang

2 joint publications

Barbaro Zulueta

2 joint publications

Qin Wu

2 joint publications

George A Petersson