(Nanowerk Spotlight) Computational calculations are revolutionizing modern scientific research, offering a powerful means to predict the potential applications of new materials. Unlike traditional ...

A breakthrough deterministic physics kernel delivers molecular, materials, and reaction screening across three ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

Northwestern Engineering’s Chris Wolverton has been named a fellow of the Materials Research Society for his pioneering work in computational materials science for materials design and discovery, ...

Assistant Professor in the Department of Materials Science and Chemical Engineering, Nav Nidhi Rajput, has received a $589,000 grant from the National Science Foundation’s Cyberinfrastructure for ...

(a) A feasible route for developing large materials models capable of describing the structure-property relationship of materials. The universal materials model of DeepH accepts an arbitrary material ...

Found in knee replacements and bone plates, aircraft components, and catalytic converters, the exceptionally strong metals known as multiple principal element alloys (MPEA) are about to get even ...

A new AI framework called THOR is transforming how scientists calculate the behavior of atoms inside materials. Instead of ...

Modeling and creating simulations are key skills in any math, science or engineering profession. That’s why we’ve created a unique, interdisciplinary computational science minor. This minor gives ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...