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The Journal of Chemical Physics|January 14, 2023
A coarse-grain reactive model of RDX: Molecular resolution at the μm scaleBrian H Lee, Michael N Sakano, James P Larentzos, et al.
Physical Review Letters|October 4, 2003
Shock waves in high-energy materials: the initial chemical events in nitramine RDXAlejandro Strachan, Adri C T van Duin, Debashis Chakraborty, et al.
ACS Nano|July 30, 2021
Atomistic Insights on the Full Operation Cycle of a HfO<sub>2</sub>-Based Resistive Random Access Memory Cell from Molecular DynamicsM Laura Urquiza, Md Mahbubul Islam, Adri C T van Duin, et al.
The Journal of Chemical Physics|March 3, 2005
Thermal decomposition of RDX from reactive molecular dynamicsAlejandro Strachan, Edward M Kober, Adri C T van Duin, et al.
Physical Review Letters|June 15, 2011
First-principles investigation of low energy E' center precursors in amorphous silicaNathan L Anderson, Ravi Pramod Vedula, Peter A Schultz, et al.
The Journal of Physical Chemistry. A|January 31, 2024
Interpretable Performance Models for Energetic Materials using Parsimonious Neural NetworksRobert J Appleton, Peter Salek, Alex D Casey, et al.
ACS Applied Materials & Interfaces|November 14, 2018
Pulse Dynamics of Electric Double Layer Formation on All-Solid-State Graphene Field-Effect TransistorsKe Xu, Md Mahbubul Islam, David Guzman, et al.
The Journal of Physical Chemistry. A|February 11, 2021
Nitromethane Decomposition via Automated Reaction Discovery and an <i>Ab Initio</i> Corrected Kinetic ModelJason Ford, Stefan Seritan, Xiaolei Zhu, et al.
The Journal of Physical Chemistry. A|February 22, 2021
Predicted Reaction Mechanisms, Product Speciation, Kinetics, and Detonation Properties of the Insensitive Explosive 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105)Brenden W Hamilton, Brad A Steele, Michael N Sakano, et al.
The Journal of Physical Chemistry. A|October 28, 2020
Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX)Michael N Sakano, Ahmed Hamed, Edward M Kober, et al.
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