Research Articles
Taming a Fiery Reaction: How Computer Simulations are Forging Greener Chemicals
Explore how computer simulations and graphene oxide are revolutionizing chemical processes for a sustainable future.
The Invisible Engine: How Computer Simulations Power Our Chemical World
Explore how Density Functional Theory (DFT) revolutionizes catalyst design and drives innovation in chemical processes through computational simulations.
Beyond Crystal Balls: The DFT Revolution That Quantifies Its Own Uncertainty
Exploring the groundbreaking mBEEF framework that transforms density functional theory by embedding error bars directly into predictions.