Marc J Cawkwell

26PUBLICATIONS
38CO-AUTHORS
Chemical and thermal processes in energy and combustionRadiation and matterComputational chemistryComputational physiologyFunctional materials
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Publications (26)

|Sep 14, 2026
Generative Chemical Language Models for Energetic Materials Discovery.

|Sep 03, 2026
Mesoscale Simulations of Hot Spot Ignition in Cyclotetramethylene Tetranitramine Using the Kinetic Monte Carlo Method.

|Jul 17, 2026
Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials.

|Oct 06, 2025
Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.

Rae A Corrigan Grove, Michael A Moxley, Christian F A Negre

|Jan 29, 2025
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections.

Daniel J Burrill, Chang Liu, Michael G Taylor

|Jan 08, 2025
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives.

Nicholas Lease, M J Cawkwell, Kyle D Spielvogel

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Frequent Collaborators

14 joint publications

Virginia W Manner

6 joint publications

Ping Yang

6 joint publications

Nicholas Lease

5 joint publications

Enrique R Batista