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 Atomic Waltz of Sand and Glass: How Quartz Flows Without Moving

Explore how oxygen and silicon atoms self-diffuse in quartz and silica through first principles calculations, revealing the hidden atomic dance that shapes our world.

Julian Foster
Oct 06, 2025

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