Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2410.15121

Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model

Jiangchuan You·Ran Chen·Wanshun Li·Hui-hui Miao·Yuri Igorevich Ozhigov
View original source ↗Read source document ↗Export metadata ↓

Abstract

A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen bonds happen alongside the creation and destruction of phonons in the surrounding medium. A number of simplifying assumptions about the dynamics of the molecules involved are used. The rotating wave approximation is applied under consideration of the strong-coupling condition. Dissipative dynamics under the Markovian approximation is obtained through solving the quantum master equation -- Lindbladian. We obtain the probabilities of reaction channels involving hydrogen bonds based on the parameters of the external environment. Differences between unitary and dissipative evolutions are discussed. Consideration is given to the effects of all kinds of potential interactions and dissipation on evolution. Consideration is also given to the reverse processes (inflows) of dissipation. The results show that the magnitude changes of the interactions and dissipation have a slight effect on the formation of hydrogen bonds, but the variation of the inflows significantly affects the formation of hydrogen bonds. According to the findings, the dynamics of the $\rm{H}_2\rm{O}$-related hydrogen bond model can be controlled by selectively choosing system parameters. The results will be used as a basis to extend the research to more complex chemical and biological models in the future.

Explore related subjects

quant-phphysics.chem-ph

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Jiangchuan You, Ran Chen, Wanshun Li, Hui-hui Miao, Yuri Igorevich Ozhigov. 2025-08-13. Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model. https://doi.org/10.1016/j.cjph.2025.06.018

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Iteratively decoded magic state distillation

We present numerical simulation results for the 7-to-1 and 15-to-1 state distillation circuits, constructed using transversal CNOTs acting on multiple surface code patches. The distillation circuits are decoded iteratively using the method outlined in [arXiv:2407.20976]. We show that, with a re-configurable qubit architecture, we can perform fast magic state distillation in $\sim\mathcal{O}(1)$ code cycles. We confirm that both circuits suppress an injected input logical error rate $p$ to $\mathcal{O}(p^3)$ in the presence of additional circuit-level noise. This is done with two types of stabiliser proxies, distilling logical $|-\rangle$ and $|Y\rangle$ states, the latter is the intended state of the 7-to-1 circuit while a stabiliser-proxy for the 15-to-1 circuit. We then also provide numerical evidences for actual $|T\rangle$ state distillation using the 15-to-1 circuit with a faulty-$T$ measurement, leveraging recent near-Clifford simulation tools. Finally, we outline how ZX-calculus and Pauli webs can be used to benchmark stabiliser proxies for these distillation circuits.

quant-ph↗
arXiv2026

Enhanced measurements on quantum computers via the simultaneous probing of non-commuting Pauli operators

Measuring the state of quantum computers is a highly non-trivial task, with implications for virtually all quantum algorithms. A promising avenue is multi-copy schemes, where identical copies of a quantum state are measured jointly so that all Pauli operators within the considered observable can be simultaneously assessed. Here, we present a first implementation of such a two-copy scheme in a measurement protocol. Based on Bayesian statistics, it accurately estimates not only the average of the desired observable but also the error en route. This enables an adaptive shot-allocation algorithm that preferentially samples the most uncertain Pauli terms. In regimes with many non-commuting Pauli operators, this ``double'' scheme can outperform the state-of-the-art measurement protocol in minimizing total shots for a given precision. We also numerically confirm the finding in previous theoretical works that the two-copy scheme incurs an overhead due to the square-root relationship between the variance of measured quantities and the number of measurement shots.

quant-ph↗
arXiv2026

Thermodynamics of a phaseonium-driven optomechanical Otto engine

We study an optomechanical Otto engine whose working medium is a single-mode cavity driven by beams of coherently prepared three-level phaseonium atoms. The atoms are not thermal reservoirs in the Gibbs sense; rather, their populations and ground-state coherence set the detailed-balance ratio of the cavity collision map, so that the field relaxes to a Gibbs state at an operational apparent temperature. We combine the finite-time collision-model dynamics with radiation-pressure work extraction and compare three reservoir preparations: a thermal reference at the same apparent temperatures, an incoherent atomic beam with the same populations, and the coherent phaseonium beam. We show that the phaseonium isochore charges the cavity passively: the cavity ergotropy and energy-basis coherence remain zero up to numerical precision, while the state converges to the Gibbs fixed point selected by the apparent detailed balance. We further estimate lower bounds on the cost of preparing the atomic populations and coherence, showing that the relevant advantage of phaseonium is a resource-preparation tradeoff rather than a cost-free enhancement over a thermal bath at the same temperature. Finally, we assess the finite-time performance of a two-cavity cascade with additive mechanical work accounting. Over the investigated coherence-phase range, the cascade produces approximately $47\%$--$52\%$ more power than the single-cavity engine while requiring only $65\%$--$68\%$ of the hot and cold phaseonium atoms needed by two independent engines, resulting in a $9\%$--$15\%$ enhancement of power per injected atom over a complete cycle.

quant-ph↗