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

Mehmet Cagri Kaymak et al. (2023)

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DOI: 10.1007/978-3-031-32041-5_11

access: closed

type: Conference or Workshop Paper

metadata version: 2025-03-03

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  dblp key:
  - conf/supercomputer/KaymakSCOMA23
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Mehmet Cagri Kaymak, Samuel S. Schoenholz, Ekin D. Cubuk, Kurt A. O'Hearn, Kenneth M. Merz Jr., Hasan Metin Aktulga:
End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX. ISC 2023: 202-219

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