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 Puzzle: How Order Makes a Material Switch from Metal to Semiconductor

Discover how atomic ordering in InSnCo₃S₂ controls a dramatic metal-to-insulator transition, opening new avenues for smarter materials in electronics and energy technologies.

Ava Morgan
Oct 01, 2025

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