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 ...

Some of the most encouraging results for reaction-enhancing catalysts come from one material in particular: tin (Sn). While Sn's overall utility as a catalyst is well-known, its underlying ...

Researchers have used machine learning to create a model that simulates reactive processes in organic materials and conditions. Researchers from Carnegie Mellon University and Los Alamos National ...

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 ...