Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

The Molecular Heartbeat: How Scientists Predict Explosions by Watching Atoms Dance

Discover how atomic mean square displacement helps scientists predict explosive initiation by observing atomic behavior in energetic materials like RDX.

Isabella Reed
Oct 25, 2025

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