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 Green Fuel Cell Revolution: Designing the Engine of Tomorrow with Computer Power

How scientists are using multi-scale computer models to crack the code of affordable, clean energy with non-precious metal fuel cells.

Jackson Simmons
Aug 22, 2025

The Atomic Lock: How Scientists Stopped Nickel Leaching to Revolutionize Hydrogen Production

Breakthrough in ordered PtNi nanostructures that trap nickel atoms in place, extending catalyst lifetimes from days to decades for hydrogen production.

Connor Hughes
Aug 10, 2025

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