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1. Single-chain simulation of Ising density functional theory for weak polyelectrolytes

   https://doi.org/10.1063/5.0175561  

   Gallegos, Alejandro; Müller, Marcus; Wu, Jianzhong (December 2023, The Journal of Chemical Physics)

   Conventional theories of weak polyelectrolytes are either computationally prohibitive to account for the multidimensional inhomogeneity of polymer ionization in a liquid environment or oversimplistic in describing the coupling effects of ion-explicit electrostatic interactions and long-range intrachain correlations. To bridge this gap, we implement the Ising density functional theory (iDFT) for ionizable polymer systems using the single-chain-in-mean-field algorithm. The single-chain-in-iDFT (sc-iDFT) shows significant improvements over conventional mean-field methods in describing segment-level dissociation equilibrium, specific ion effects, and long-range intrachain correlations. With an explicit consideration of the fluctuations of polymer configurations and the position-dependent ionization of individual polymer segments, sc-iDFT provides a faithful description of the structure and thermodynamic properties of inhomogeneous weak polyelectrolyte systems across multiple length scales. 

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2. Noise-resilient phase transitions and limit-cycles in coupled Kerr oscillators

   https://doi.org/10.1088/1367-2630/ad2414  

   Alaeian, H.; Soriente, M.; Najafi, K.; Yelin, S. F. (February 2024, New Journal of Physics)

   Abstract In recent years, there has been considerable focus on exploring driven-dissipative quantum systems, as they exhibit distinctive dissipation-stabilized phases. Among themdissipative time crystalis a unique phase emerging as a shift from disorder or stationary states to periodic behaviors. However, understanding the resilience of these non-equilibrium phases against quantum fluctuations remains unclear. This study addresses this query within a canonical parametric quantum optical system, specifically, a multi-mode cavity with self- and cross-Kerr non-linearity. Using mean-field (MF) theory we obtain the phase diagram and delimit the parameter ranges that stabilize a non-stationary limit-cycle phase. Leveraging the Keldysh formalism, we study the unique spectral features of each phase. Further, we extend our analyses beyond the MF theory by explicitly accounting for higher-order correlations through cumulant expansions. Our findings unveil insights into the modifications of the open quantum systems phases, underscoring the significance of quantum correlations in non-equilibrium steady states. Importantly, our results conclusively demonstrate the resilience of the non-stationary phase against quantum fluctuations, rendering it a dissipation-induced genuine quantum synchronous phase. 

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3. Influence of inhomogeneous stochasticity on the falsifiability of mean-field theories and examples from accretion disc modelling

   https://doi.org/10.1093/mnras/stab2403  

   Zhou, Hongzhe; Blackman, Eric G (September 2021, Monthly Notices of the Royal Astronomical Society)

   ABSTRACT Despite spatial and temporal fluctuations in turbulent astrophysical systems, mean-field theories can be used to describe their secular evolution. However, observations taken over time scales much shorter than dynamical time scales capture a system in a single state of its turbulence ensemble. Comparing with mean-field theory can falsify the latter only if the theory is additionally supplied with a quantified precision. The central limit theorem provides appropriate estimates to the precision only when fluctuations contribute linearly to an observable and with constant coherent scales. Here, we introduce an error propagation formula that relaxes both limitations, allowing for non-linear functional forms of observables and inhomogeneous coherent scales and amplitudes of fluctuations. The method is exemplified in the context of accretion disc theories, where inhomogeneous fluctuations in the surface temperature are propagated to the disc emission spectrum – the latter being a non-linear and non-local function of the former. The derived precision depends non-monotonically on emission frequency. Using the same method, we investigate how binned spectral fluctuations in telescope data change with the spectral resolving power. We discuss the broader implications for falsifiability of a mean-field theory. 

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4. Quantum Melting of Spin-1 Dimer Solid Induced by Inter-chain Couplings

   Xu, Yi; Fu, Tianfu; Hasik, Juraj; Nevidomskyy, Andriy H. (September 2022, arXivorg)

   Dimerized valence bond solids appear naturally in spin-1/2 systems on bipartite lattices, with the geometric frustrations playing a key role both in their stability and the eventual `melting' due to quantum fluctuations. Here, we ask the question of the stability of such dimerized solids in spin-1 systems, taking the anisotropic square lattice with bilinear and biquadratic spin-spin interactions as a paradigmatic model. The lattice can be viewed as a set of coupled spin-1 chains, which in the limit of vanishing inter-chain coupling are known to possess a stable dimer phase. We study this model using the density matrix renormalization group (DMRG) and infinite projected entangled-pair states (iPEPS) techniques, supplemented by the analytical mean-field and linear flavor wave theory calculations. While the latter predicts the dimer phase to remain stable up to a reasonably large interchain-to-intrachain coupling ratio r≲0.6, the DMRG and iPEPS find that the dimer solid melts for much weaker interchain coupling not exceeding r≲0.15. We find the transition into a magnetically ordered state to be first order, manifested by a hysteresis and order parameter jump, precluding the deconfined quantum critical scenario. The apparent lack of stability of dimerized phases in 2D spin-1 systems is indicative of strong quantum fluctuations that melt the dimer solid. 

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5. Phase-space methods for neutrino oscillations: Extension to multibeams

   https://doi.org/10.1103/PhysRevD.110.103027  

   Lacroix, Denis; Bauge, Angel; Yilmaz, Bulent; Mangin-Brinet, Mariane; Roggero, Alessandro; Balantekin, A Baha (November 2024, Physical Review D)

   The phase-space approach (PSA), which was originally introduced in Lacroix [] to describe neutrino flavor oscillations for interacting neutrinos emitted from stellar objects is extended to describe arbitrary numbers of neutrino beams. The PSA is based on mapping the quantum fluctuations into a statistical treatment by sampling initial conditions followed by independent mean-field evolution. A new method is proposed to perform this sampling that allows treating an arbitrary number of neutrinos in each neutrino beams. We validate the technique successfully and confirm its predictive power on several examples where a reference exact calculation is possible. We show that it can describe many-body effects, such as entanglement and dissipation induced by the interaction between neutrinos. Due to the complexity of the problem, exact solutions can only be calculated for rather limited cases, with a limited number of beams and/or neutrinos in each beam. The PSA approach considerably reduces the numerical cost and provides an efficient technique to accurately simulate arbitrary numbers of beams. Examples of PSA results are given here, including up to 200 beams with time-independent or time-dependent Hamiltonians. We anticipate that this approach will be useful to bridge exact microscopic techniques with more traditional transport theories used in neutrino oscillations. It will also provide important reference calculations for future quantum computer applications where other techniques are not applicable to classical computers. Published by the American Physical Society2024 

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