Research Articles
The Invisible Engine: How Computer Simulations are Designing Better Catalysts
Explore how Density Functional Theory (DFT) is revolutionizing catalyst design in surface science and heterogeneous catalysis through computational simulations.
AI and the Catalytic Revolution: How Machine Learning Bridges the Complexity Gap
Exploring how machine learning is transforming computational heterogeneous catalysis by bridging complexity gaps and accelerating catalyst discovery.
Atomic Allies: How X-Ray Eyes and Digital Brains Are Revolutionizing Catalyst Design
Exploring the synergy between X-ray absorption spectroscopy and computational catalysis in designing sustainable energy solutions.