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Trapped Ion Quantum Computing Quantum Chemistry

Operational impact of quantum resources in chemical dynamics

arXiv
Authors: Julia Liebert, Gregory D. Scholes

Year

2026

Paper ID

28666

Status

Preprint

Abstract Read

~2 min

Abstract Words

231

Citations

N/A

Abstract

Quantum coherence and other non-classical features are widely discussed in chemical dynamics, yet it remains difficult to quantify when such resources are operationally relevant for a given process and observable. While quantum resource theories provide a comprehensive framework for comparing free and resourceful settings, existing approaches typically rely on resource monotones or on performance bounds under free operations, and do not directly quantify the maximal influence a chosen resource can exert on a fixed chemical dynamics. Here, we introduce task specific, process level quantifiers that upper bound the largest change a quantum resource can induce in a target figure of merit. Central is a resource impact functional mathcal{C}M(Λ), defined by comparing a state with its paired resource-free counterpart under the same quantum channel Λ, which admits an operational interpretation in binary hypothesis testing. We derive variation and time bounds that constrain how rapidly a resource can modify a target signal, providing resource-aware analogues of quantum speed limits. Moreover, we show that open system dynamics can be decomposed into free and resourceful components such that only the resourceful component contributes to mathcal{C}M(Λ), thereby isolating the parts of a generator responsible for resource-induced changes in the observable. We illustrate the framework exemplary for energy transfer in a donor-acceptor dimer in two analytically solvable regimes. Our results provide a general toolbox for diagnosing and benchmarking quantum resource effects in molecular processes.

Why This Paper Matters

  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2026 reference point for readers tracking recent quantum research.
  • Quantum coherence and other non-classical features are widely discussed in chemical dynamics, yet it remains difficult to quantify when such resources are operationally...

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