Machine learning potential (MLP) training for surface reconstruction analyses. (a) Workflow for MLP training and large-scale configuration space searching. (b-c) Molecular dynamics (MD) simulations at ...

Schematic illustrations of carbon-growth-on-metal machine-learning potential (CGM-MLP) generated by active learning on-the-fly during hybrid molecular dynamics and time-stamped force-biased Monte ...

Researchers at Tohoku University and Shanghai Jiao Tong University have developed a machine learning method published in Nature Communications, enabling the prediction and control of carbon ...

(Nanowerk News) Carbon nanostructures could become easier to design and synthesize thanks to a machine learning method that predicts how they grow on metal surfaces. The new approach, developed by ...