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Marc J Cawkwell

23PUBLICATIONS

33CO-AUTHORS

Computational chemistryComputational physiologyFunctional materialsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical and thermal processes in energy and combustion

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Publications (23)

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|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

|Dec 02, 2024

Machine Learning Models for High Explosive Crystal Density and Performance.

Jack V Davis, Frank W Marrs, Marc J Cawkwell

|Nov 13, 2024

Transport Properties of Liquid Pentaerythritol Tetranitrate (PETN) from Molecular Dynamics Simulations.

Romain Perriot, Marc J Cawkwell, Virginia W Manner

|Sep 11, 2024

An Integrated Experimental and Modeling Approach for Assessing High-Temperature Decomposition Kinetics of Explosives.

Virginia W Manner, Marc J Cawkwell, Kyle D Spielvogel

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Frequent Collaborators

13 joint publications

Virginia W Manner

6 joint publications

Ping Yang

6 joint publications

Nicholas Lease

5 joint publications

Enrique R Batista

4 joint publications

Romain Perriot

3 joint publications

Frank W Marrs

3 joint publications

Chang Liu

2 joint publications

Néstor F Aguirre

2 joint publications

Susan M Mniszewski

2 joint publications

Jeremiah D Moore

Frequent Collaborators

13 joint publications

Virginia W Manner

6 joint publications

Ping Yang

6 joint publications

Nicholas Lease

5 joint publications

Enrique R Batista

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