Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

Nanotribology is the study of friction, wear, and lubrication at the nanoscale. It focuses on understanding and controlling the interactions between surfaces in relative motion when the contact area ...