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October 16, 2025Open Access

Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging

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Authors

TSTyler SmithUniversity of WashingtonTGTanvi P. GujaratiIBM (United States)MMMário MottaIBM (United States)

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Overview

Simulation computes activation energy for hydrogen abstraction in radical reactions, highlighting entanglement forging and quantum diagonalization methods.

Key Points

  • The simulation computes activation energy and reaction energy for hydrogen abstraction, essential for understanding radical chain reactions.
  • A superconducting quantum processor is utilized alongside classical resources, achieving significant qubit reduction through entanglement forging.
  • Combination of entanglement forging and sample-based quantum diagonalization enhances accuracy in quantum simulations of electronic systems.
  • The study demonstrates powerful applications of quantum computing in aerospace materials, particularly regarding photodegradation reactions.

Cite This Study

Smith et al. (2025) studied this question.

synapsesocial.com/papers/68f12bfb2107091eab27a465https://doi.org/10.48550/arxiv.2508.08229
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