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Comparing the latent features of universal machine-learning interatomic poten...
<p>The past few years have seen the development of ``universal'' machine-learning interatomic potentials (uMLIPs) capable of approximating the ground-state potential... -
FlashMD: long-stride, universal prediction of molecular dynamics
<p>Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of... -
Randomly-displaced methane configurations
Most of the datasets to benchmark machine-learning models contain minimum-energy structures, or small fluctuations around stable geometries, and focus on the diversity of... -
Randomly-displaced methane configurations
Most of the datasets to benchmark machine-learning models contain minimum-energy structures, or small fluctuations around stable geometries, and focus on the diversity of...
