Cutting-Edge Theoretical Studies

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

Research Articles

Beyond the Blurry Lens: Sharpening Our View of the Chemical World

Discover how the Extended LDA+U+V approach is revolutionizing computational chemistry by providing accurate predictions for covalently bonded systems like silicon and gallium arsenide.

Aiden Kelly
Aug 22, 2025

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