Carbon materials especially with hydrogenation have attracted wide attention for their novel physical and chemical properties and broad application prospects. A systematic theoretical simulation ...
Infrared (IR) spectroscopy is a pivotal analytical tool as it provides real-time molecular insight into material structures and enables the observation of reaction intermediates in situ. However, ...
Theoretical physicists use machine-learning algorithms to speed up difficult calculations and eliminate untenable theories—but could they transform what it means to make discoveries? Theoretical ...
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 ...