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End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX.

Mehmet Cagri KaymakSamuel S. SchoenholzEkin D. CubukKurt A. O'HearnKenneth M. Merz Jr.Hasan Metin Aktulga
Published in: ISC (2023)
Keyphrases
  • end to end
  • molecular dynamics simulations
  • molecular dynamics
  • wireless ad hoc networks
  • admission control
  • congestion control
  • internet protocol
  • application layer
  • fluid flow