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

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 ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

The team developed a computational framework using robotic path planning algorithms to rapidly identify optimal composition gradients between dissimilar materials. The framework enables the creation ...

The diagram illustrates the interplay among data acquisition, machine learning, and experiment synthesis. Physical models such as thermodynamics and kinetics can be integrated into ML models as expert ...

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 ...

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 ...

Computational Materials Discovery has emerged as one of the important tools available to chemists, physicists, and materials scientists to produce designer materials with superior performance. They ...

The UGC–Malaviya Mission Teacher Training Centre (MMTTC) at Shri Mata Vaishno Devi University (SMVDU), Katra, conducted an ...

How additive manufacturing advanced the development of functionally graded materials. Why compositionally graded materials present a greater challenge to materials engineers. How computational ...