Joshua Kammeraad

9PUBLICATIONS
14CO-AUTHORS
Reaction engineering (excl. nuclear reactions)Condensed matter modelling and density functional theoryComputational chemistryFormal methods for softwareDeep learning
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Publications (9)

|Jul 16, 2025
Uncovering the Origins of Selectivity in Non-Heme Iron Dioxygenase-Catalyzed Tropolone Biosynthesis.

Taveechai Wititsuwannakul, Kevin C Skinner, Joshua A Kammeraad

|Apr 29, 2025
Exchange-Correlation Potentials and Energy Densities through Orbital Averaging and Aufbau Integration.

Vaibhav Khanna, Bikash Kanungo, Jeffrey Hatch

|Jan 19, 2024
Conformational Sampling over Transition-Metal-Catalyzed Reaction Pathways: Toward Revealing Atroposelectivity.

Joshua A Kammeraad, Soumik Das, Alonso J Argüelles

|Nov 17, 2023
Simulating Electron Transfer Reactions in Solution: Radical-Polar Crossover.

Kevin C Skinner, Josh A Kammeraad, Troy Wymore

|Dec 29, 2022
Advances in Parallel Heat Bath Configuration Interaction.

Duy-Khoi Dang, Joshua A Kammeraad, Paul M Zimmerman

|Jun 27, 2022
Predicting reaction conditions from limited data through active transfer learning.

Eunjae Shim, Joshua A Kammeraad, Ziping Xu

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Frequent Collaborators

8 joint publications

Paul M Zimmerman

2 joint publications

Alison R H Narayan

1 joint publications

Kevin C Skinner

1 joint publications

Troy Wymore