Carbon materials especially with hydrogenation have attracted wide attention for their novel physical and chemical properties and broad application prospects. A systematic theoretical simulation ...

Active learning encompasses a suite of iterative sampling methodologies that seek to maximise predictive performance while minimising the burden of manual annotation. By identifying and labelling only ...

Researchers have long sought to model how carbon atoms interact with metal surfaces to form graphene and other carbon materials. Developing this capability would elucidate the growth mechanisms of ...

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...