Research Articles
Forging a Greener Future: The Super-Efficient Catalysts Hiding in Plain Sight
Discover how PtBi and PtPb intermetallic compounds are revolutionizing clean energy through advanced computational design and superior electrocatalytic properties.
The Digital Alchemist: Forging New Materials Inside a Supercomputer
How scientists are using quantum mechanics and VASP simulations to design new materials atom by atom in supercomputers.
Decoding the Dance of Atoms: How Computer Simulations Revolutionize Metal Oxide Catalysts
Exploring how computer simulations revolutionize our understanding of metal oxide catalysts through quantum mechanics and multiscale modeling.
The Electron Simplifier: How Walter Kohn Revolutionized Materials Science
How Walter Kohn's density-functional theory transformed quantum complexity into computational elegance and revolutionized materials science.