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 Thinking Machines: How Soviet Scientists Pioneered Computer Chemistry in the Cold War Crucible

Exploring Gutenmakher & Vléduts' 1961 vision for chemical computing revolution and its impact on modern computational chemistry.

Samantha Morgan
Aug 10, 2025

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