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Physics > Chemical Physics

Title: Physics-Informed Neural Networks and Beyond: Enforcing Physical Constraints in Quantum Dissipative Dynamics

Abstract: Neural networks (NNs) accelerate simulations of quantum dissipative dynamics. Ensuring that these simulations adhere to fundamental physical laws is crucial, but has been largely ignored in the state-of-the-art NN approaches. We show that this may lead to implausible results measured by violation of the trace conservation. To recover the correct physical behavior, we develop physics-informed NNs that mitigate the violations to a good extend. Beyond that, we introduce an approach enforcing the perfect trace conservation by design.
Comments: Two figures
Subjects: Chemical Physics (physics.chem-ph)
Cite as: arXiv:2404.14021 [physics.chem-ph]
  (or arXiv:2404.14021v1 [physics.chem-ph] for this version)

Submission history

From: Arif Ullah [view email]
[v1] Mon, 22 Apr 2024 09:35:48 GMT (57kb)

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