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Trajectory forecasting lifts the femtosecond ceiling in molecular simulation

Nature Machine Intelligence Molecular Simulation Seyed Mohamad Moosavi 2026-08-05

TL;DR - A deep learning method extends molecular dynamics simulations beyond femtosecond-scale limits while retaining accurate physical-property predictions. This could enable efficient modeling of slower molecular processes.

  • Uses trajectory forecasting to extend molecular dynamics time scales.
  • Applies deep learning to predict molecular evolution.
  • Aims to preserve physical-property accuracy over longer simulations.
  • Specific benchmarks and quantitative gains are not provided in the excerpt.

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