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This project focuses on the development of accurate force fields and molecular dynamics simulations for HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), a common high-energy explosive. The research aims to enhance understanding of the molecular interactions and properties of HMX under various conditions. By integrating advanced computational techniques, we seek to provide insights into the stability, reactivity, and performance of HMX, which can lead to improved safety and efficiency in its applications.
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