Data Party THU
Apr 12, 2026 · Artificial Intelligence
Physics‑Informed GP Model Enables Near‑Infinite Stability in Hot Molecular Dynamics
Researchers from the University of Manchester introduced a physics‑informed Gaussian Process atomic energy model that, unlike traditional machine‑learning potentials, remains stable in molecular dynamics simulations up to 1000 K for tens of nanoseconds, demonstrating robust force predictions and reliable long‑time behavior across diverse molecules.
Gaussian ProcessMachine Learning Potentialscomputational chemistry
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