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Marc J Cawkwell

Showing results (1-10 of 18) with videos related to

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The Journal of Chemical Physics|November 3, 2014
Generalized extended Lagrangian Born-Oppenheimer molecular dynamicsAnders M N Niklasson, Marc J Cawkwell
The Journal of Physical Chemistry. B|November 13, 2024
Transport Properties of Liquid Pentaerythritol Tetranitrate (PETN) from Molecular Dynamics SimulationsRomain Perriot, Marc J Cawkwell, Virginia W Manner
The Journal of Chemical Physics|April 24, 2015
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamicsEnrique Martínez, Marc J Cawkwell, Arthur F Voter, et al.
Chemistry of Materials : a Publication of the American Chemical Society|December 2, 2024
Machine Learning Models for High Explosive Crystal Density and PerformanceJack V Davis, Frank W Marrs, Marc J Cawkwell, et al.
The Journal of Chemical Physics|December 16, 2011
Geometric integration in Born-Oppenheimer molecular dynamicsAnders Odell, Anna Delin, Börje Johansson, et al.
The Journal of Physical Chemistry Letters|October 3, 2022
Identifying the Molecular Properties that Drive Explosive Sensitivity in a Series of Nitrate EstersNicholas Lease, Lisa M Klamborowski, Romain Perriot, et al.
Journal of Chemical Theory and Computation|July 11, 2024
Efficient Parameterization of Density Functional Tight-Binding for 5<i>f</i>-Elements: A Th-O Case StudyChang Liu, Néstor F Aguirre, Marc J Cawkwell, et al.
Science (New York, N.Y.)|August 16, 2005
Origin of brittle cleavage in iridiumMarc J Cawkwell, Duc Nguyen-Manh, Christopher Woodward, et al.
Journal of Chemical Information and Modeling|July 12, 2021
Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding TheoryMarc J Cawkwell, Alexandra C Burch, Suyana R Ferreira, et al.
ACS Physical Chemistry Au|March 1, 2023
Understanding Explosive Sensitivity with Effective Trigger Linkage KineticsMarc J Cawkwell, Jack Davis, Nicholas Lease, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|November 3, 2014
Generalized extended Lagrangian Born-Oppenheimer molecular dynamicsAnders M N Niklasson, Marc J Cawkwell
The Journal of Physical Chemistry. B|November 13, 2024
Transport Properties of Liquid Pentaerythritol Tetranitrate (PETN) from Molecular Dynamics SimulationsRomain Perriot, Marc J Cawkwell, Virginia W Manner
The Journal of Chemical Physics|April 24, 2015
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamicsEnrique Martínez, Marc J Cawkwell, Arthur F Voter, et al.
Chemistry of Materials : a Publication of the American Chemical Society|December 2, 2024
Machine Learning Models for High Explosive Crystal Density and PerformanceJack V Davis, Frank W Marrs, Marc J Cawkwell, et al.
The Journal of Chemical Physics|December 16, 2011
Geometric integration in Born-Oppenheimer molecular dynamicsAnders Odell, Anna Delin, Börje Johansson, et al.
The Journal of Physical Chemistry Letters|October 3, 2022
Identifying the Molecular Properties that Drive Explosive Sensitivity in a Series of Nitrate EstersNicholas Lease, Lisa M Klamborowski, Romain Perriot, et al.
Journal of Chemical Theory and Computation|July 11, 2024
Efficient Parameterization of Density Functional Tight-Binding for 5<i>f</i>-Elements: A Th-O Case StudyChang Liu, Néstor F Aguirre, Marc J Cawkwell, et al.
Science (New York, N.Y.)|August 16, 2005
Origin of brittle cleavage in iridiumMarc J Cawkwell, Duc Nguyen-Manh, Christopher Woodward, et al.
Journal of Chemical Information and Modeling|July 12, 2021
Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding TheoryMarc J Cawkwell, Alexandra C Burch, Suyana R Ferreira, et al.
ACS Physical Chemistry Au|March 1, 2023
Understanding Explosive Sensitivity with Effective Trigger Linkage KineticsMarc J Cawkwell, Jack Davis, Nicholas Lease, et al.
Pageof 2