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 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 ...