AI for Science

We introduce a matrix product operator (MPO) encoding of the Magnus expansion and the Dyson series for one-dimensional quantum lattice models with time-dependent Hamiltonians. The MPO construction can be made accurate up to arbitrary order in the time step, it can be applied to both finite and infinite systems, and it can handle long-range interactions. The resulting MPO can be combined with state-of-the-art time evolution algorithms based on matrix product states, allowing for drastic improvements in simulating evolution under time-dependent Hamiltonians. Our MPO construction can also be used for the optimization of quantum circuits in the context of quantum simulation of time-dependent Hamiltonians.

We demonstrate how the transport properties of molecular polaritons in optical cavities can be extracted from a microscopic modeling of pump-probe spectroscopy. Our approach combines a mean-field treatment of the light-matter Hamiltonian with a perturbative expansion of both light and matter components, along with spatial coarse-graining. This approach extends semiclassical cavity spectroscopy to multimode light-matter interactions, providing full access to spatially resolved transient spectra. By simulating a microscopy experiment with counter-propagating pump and probe pulses, we compute the differential transmission and show how molecular dephasing and persistent dark exciton populations drive sub-group-velocity transport of the root-mean-square displacement. We analyze transport across the polariton dispersion, showing how velocity renormalization correlates with excitonic weight, consistent with experimental observations, and further its dependence on the rate of molecular dephasing. Our results highlight the need to consider measured spectroscopic observables when characterizing transport in polaritonic systems.

A strange metal is an exotic state of correlated quantum matter; intensive efforts are ongoing to decipher its nature. Here we explore whether the quantum Fisher information (QFI), a concept from quantum metrology, can provide new insight. We use inelastic neutron scattering and quantum Monte Carlo simulations to study a Kondo destruction quantum critical point, where strange metallicity is associated with fluctuations beyond a Landau order parameter. We find that the QFI probed away from magnetic Bragg peaks, where the effect of magnetic ordering is minimized, increases strongly and without a characteristic scale as the strange metal forms with decreasing temperature, evidencing its unusual entanglement properties. Our work opens a new direction for studies across strange metal platforms.

The Majoron is a hypothetical (pseudo) Nambu-Goldstone boson arising from the spontaneous breaking of a global lepton number symmetry, and is known as a candidate for dark matter in our Universe. In this paper, we investigate the possibility of probing the Majoron dark matter with a linear optical cavity used in the interferometric gravitational wave detectors. We consider a scenario in which the Majoron dark matter couples to photons through a QED anomaly, leading to an oscillatory photon birefringence induced by the coherent dark matter background. The anomaly coefficient is fixed by requiring the model to simultaneously reproduce the electroweak Higgs scale and a typical right-handed Majorana neutrino mass scale, and the resulting dark matter-photon coupling naturally falls within the sensitivity range of optical interferometers. By incorporating additional optics to extract the birefringence signal, we find that ground-based laser interferometers such as Advanced LIGO, KAGRA, as well as future detectors, can probe a region of the parameter space of Majoron dark matter.

Radiation reaction cooling plays an important role in describing the extreme plasma conditions found in the magnetospheres of astrophysical compact objects. Strong electromagnetic fields, characteristic of these environments, can trigger the development of anisotropic ring-shaped plasma distributions with inverted Landau populations in momentum space. In this work, we present the first systematic investigation of this mechanism in realistic astrophysical configurations, by accounting for how non-uniform electromagnetic field geometries and general-relativistic effects modify the phase-space dynamics of radiatively cooled plasmas. We demonstrate analytically that drift velocities favour the formation of spiral-shaped momentum distributions that still display inverted Landau populations, and estimate the minimum and maximum plasma injection distances required for inverted momentum distributions to be able to power the emission of coherent radiation through kinetic instabilities. From numerical simulations, we conclude that curved spacetime increases the gradient of the distribution function responsible for the development of kinetic instabilities, and prolongs the persistence of the inverted momentum structure relative to flat spacetime, confirming that realistic astrophysical conditions preserve and enhance the conditions necessary for synchrotron-powered emission of coherent radiation to occur.

There has been recent interest in the relaxational modes of small-scale fully connected systems of aligning self-propelled particles (Spera et al., Phys. Rev. Lett. {\bf 132}: 078301 (2024)). We revisit the classical connection between Fokker-Planck and Schrödinger equations to address this by means of exact diagonalization, allowing for rigorous analytical insight into the full spectrum. This allows us to extract exact results which we compare to the existing result from linearized statistical field theory. We derive asymptotically correct analytical results that improve upon the prior approximations. We show that this methodology can fruitfully be extended to the case of non-reciprocal interactions which gives rise to a non-Hermitian Schrödinger problem akin to those in open quantum mechanics. While the non-reciprocity can be chosen such as not to alter the stationary distribution, it fundamentally changes the nature of the steady state which we quantify via the entropy production. We discuss the case of low particle numbers as well as the emergence of mean-field dynamics at large numbers.

Exceptional knots and links represent a remarkable class of non-Hermitian metals in which exceptional degeneracies form knotted or linked manifolds in momentum space. Here, we report a universal construction framework for realizing exceptional knots and links with arbitrary braiding topology in 3D minimal two-band non-Hermitian systems. Our approach combines braid theory with semiholomorphic polynomials to establish a direct correspondence between braid words and non-Hermitian Bloch Hamiltonians. This framework enables the realization of a broad variety of exceptional configurations, including torus knots, lemniscate knots, nonfibred knots, hyperbolic knots, and multi-component links, within explicit tight-binding Hamiltonians. Furthermore, we demonstrate controllable topological transitions in which exceptional knots can be continuously untied through redistribution and reconnection of exceptional points, accompanied by transient exceptional chains and changes in spectral complex energy braiding. Our results establish a universal route toward programmable non-Hermitian knot topology and provide a versatile platform for exploring knotted band degeneracies and their associated physical phenomena across photonic, acoustic, mechanical, and cold-atom systems.

Valley splitting in strained Si/SiGe quantum wells is a central parameter for silicon spin qubits and is commonly described with envelope-function and effective-mass theories. These models provide a computationally efficient continuum description and have been shown to agree well with atomistic approaches when the confinement potential is slowly varying on the lattice scale. In modern Si/SiGe heterostructures with atomically sharp interfaces and engineered Ge concentration profiles, however, the slowly varying potential approximation underlying conventional (local) envelope-function theory is challenged. We formulate an exact multi-valley envelope-function model by combining Burt-Foreman-type envelope-function theory, which does not rely on the assumption of a slowly varying potential, with a valley-sector decomposition of the Brillouin zone. This construction enforces band-limited envelopes, which satisfy a set of coupled integro-differential equations with a non-local potential energy operator. Using degenerate perturbation theory, we derive the intervalley coupling matrix element within this non-local model and prove that it is strictly invariant under global shifts of the confinement potential (choice of reference energy). We then show that the conventional local envelope model generically violates this invariance due to spectral leakage between valley sectors, leading to an unphysical energy-reference dependence of the intervalley coupling. The resulting ambiguity is quantified by numerical simulations of various engineered Si/SiGe heterostructures. Finally, we propose a simple spectrally filtered local approximation that restores the energy-reference invariance exactly and provides a good approximation to the exact non-local theory.

We present efficient and practical protocols to measure the second Rényi entropy, whose exponential is known as the purity. Our approach is based on expressing the purity in terms of transition probabilities generated by an echo-type forward-backward evolution sequence, making it applicable to quantum many-body systems. Notably, our approach does not rely on random-noise averaging, a feature that can be extended to protocols to measure out-of-time-order correlation functions, as we demonstrate. By way of example, we show that our protocols can be practically implemented in superconducting qubit-based platforms, as well as in cavity-QED trapped ultra-cold gases.

Characterization of the dynamics of an impurity immersed in a quantum medium is vital for fundamental understanding of matter as well as applications in modern day quantum technologies. The case of strong and long-ranged interactions is of particular importance here, as it opens the possibility to leverage quantum correlations in controlling the system properties. Here, we consider a charged impurity moving in a bosonic gas and study its properties out of equilibrium. We extract the stationary momentum of the ion at long times, which is nonzero due to the superfluid nature of the medium, and the effective mass which stems from dressing the impurity with the host atoms. The nonlinear evolution leads not only to emission of density waves, but also momentum transfer back to the ion, resulting in the possibility of oscillatory dynamics.

This paper elaborates on the implications of the relationship between the Second and Third Laws and provides a comprehensive formal and historical justification for the logical redundancy of the Nernst heat theorem. By revisiting the Nernst-Einstein debate, the underlying hypotheses that lead to the traditional view of the Third Law as an independent postulate are examined. It is argued that the historical rejection of Nernst's proof -- motivated by Einstein's insistence on the practical non-performability of cycles at absolute zero -- overlooks the fact that a universal Second Law already precludes such cycles, rendering an independent Third Law an unnecessary complexity. Ultimately, the Nernst theorem is shown to be an essential consistency regulator rather than an independent physical discovery.

The paper solves the problem of continuum limit in bosonic thermal coherent-state path integrals. For this purpose, exact discrete versions of the path integral are constructed for three different orderings of the Hamiltonian: normal, anti-normal and symmetric (Weyl order). Subsequently, their different continuum versions are checked on the harmonic oscillator, to choose the symmetric ordering as a possibly correct choice for all polynomial Hamiltonians. Spotted mathematical subtleties in the simple case serve as a clue to the general solution. Finally, a general justification for the symmetric order is provided by deriving the continuum path integral starting from the exact discrete case using a renormalization procedure in the imaginary time frequency domain. While the role of Weyl order has already been found, the paper provides the missing proof of its suitability for every polynomial Hamiltonian and simplifies the previously established construction by referring only to creation and annihilation operators (without position and momentum operators).

Constructing accurate and computationally efficient surrogate models (or emulators) for predicting dynamical system responses is critical in many engineering domains, yet remains challenging due to the strongly nonlinear and high-dimensional mapping from external excitations and system parameters to system responses. This work introduces a novel Function-on-Function Nonlinear AutoRegressive model with eXogenous inputs (F2NARX), which reformulates the recently proposed $\mathcal{F}$-NARX method from a function-on-function regression perspective. The proposed framework substantially improves predictive efficiency while maintaining high accuracy. By combining principal component analysis with Gaussian process regression, F2NARX further enables probabilistic predictions of dynamical responses via the unscented transform in an autoregressive manner. Such probabilistic prediction capabilities further facilitate active learning for first-passage probability evaluation. The effectiveness of the method is demonstrated through case studies of varying complexity. Results show that F2NARX outperforms state-of-the-art NARX model by orders of magnitude in efficiency while achieving higher accuracy in general. Meanwhile, the active learning approach enables accurate estimation of first-passage failure probabilities for dynamical systems using only a small number of training time histories.

We consider spherically symmetric Yang-Mills equations with gauge group $SO(d)$ in $d+1$ dimensional Minkowski spacetime. For any given odd $d\geq 11$, we establish existence and uniqueness (modulo reflection symmetry) of exactly $N$ smooth self-similar solutions, where $N$ is the number of zeros of an explicit polynomial $P_m(z)$ of degree $m=(d-5)/2$ in the interval $0<z<1$. The number $N$ can be determined algorithmically by an explicit computation. Our extensive computations for large odd dimensions suggest that $N=3$ for all odd $d\geq 11$. Two of these self-similar solutions admit closed-form expressions: one has been known previously, while the other appears to be new. Our result points toward a relatively simple landscape of possible blowup scenarios for high-dimensional Yang-Mills equations. Beyond its purely mathematical interest, this rigidity of self-similar blowup may also be relevant from a physical perspective, as it constrains the possible ultraviolet dynamics of non-abelian gauge fields in higher-dimensional Yang-Mills theories arising in string-inspired extra-dimensional setups and in holographic models.

Photoluminescent color centers in diamond and hexagonal boron nitride (hBN) are powerful nanoscale solid-state quantum sensors that are explored in a plethora of quantum technologies. Methods for integrating them into macroscopic structures that improve their sensitivity and enable their large-scale deployment are highly sought after. Here, we demonstrate cavity-enhanced photoluminescence (PL) of fluorescent nanodiamonds (FNDs) and hBN nanoparticles (NPs) embedded in polymer-based thin-film optical cavities on the centimeter scale. The cavity resonances efficiently modulate the spectral PL peak position of nitrogen-vacancy (NV) centers in FNDs across the NV PL spectrum and lead to an up to 2.9-fold Purcell-enhancement of the NV PL decay rate. The brightness of hBN NPs increases by up to a factor of three and the PL decay rate is enhanced by up to 13-fold inside the cavities. Finally, we find a 4.8 times improved magnetic field sensitivity of 20 nm FNDs in thin-film cavities due to cavity-enhanced optically detected magnetic resonance contrast and PL brightness. Our study demonstrates a low-cost and scalable method for the fabrication of quantum sensor-doped thin-film cavities, which is an important step toward the development of advanced quantum sensing technologies.

This study investigates the dynamics of quantum information and computational resources using a tractable model of coupled harmonic oscillators. We precisely characterize the interplay between mutual information, synchronization, and circuit complexity, demonstrating that they serve as complementary yet distinct measures of quantum correlations. Our analysis reveals how coupling strength, detuning, and external magnetic fields modulate these quantities, with synchronization and mutual information exhibiting marked divergence in nonlinear regimes. By employing exact Gaussian methods, we compute the circuit depth required to prepare target states and connect increased fidelity to more regular dynamical behavior. Furthermore, we analyze single-ion transport in a harmonic trap, comparing sudden and adiabatic protocols. We introduce a nonadiabaticity metric to quantify the fidelity-complexity trade-off, showing that smooth control sequences significantly minimize operational errors by suppressing excitations. These results provide a refined understanding of quantum correlations and offer concrete principles for optimizing control strategies in quantum technologies.

Fractional Chern insulators (FCI) are exotic phases of matter realized at partial filling of a Chern band that host fractionally charged anyon excitations. Recent numerical studies in several microscopic models reveal that increasing the bandwidth in an FCI can drive a direct transition into a charge-2e superconductor rather than a conventional Fermi liquid. Motivated by this surprising observation, we propose a theoretical framework that captures the intertwinement between superconductivity and fractionalization in a lattice setting. Leveraging the duality between three field-theoretic descriptions of the Jain topological order, we find that bandwidth tuning can drive a single parent FCI at $ν= 2/3$ into five different superconductors, some of which are intrinsically non-Abelian and support Majorana zero modes. Our results reveal a rich landscape of exotic superconductors with no normal state Fermi surface and predict novel higher-charge superconductors coexisting with neutral non-Abelian topological order at more general filling fractions $ν= p/(2p+1)$.

In this work we introduce an effective approach to quantize the electromagnetic response of plasmonic metallic nanostructures. Their shape is arbitrary and they feature a realistic description of the frequency-dependent metal dielectric function that is based on experimental data. The derived quantum modes correctly reproduce the linear response macroscopic polarization of the nanoparticle upon external drive according to classical macroscopic Maxwell equations in the quasistatic limit. We further investigate the coupling of these modes to a quantum-chemical molecular description. The presented methodology paves the way for accurate modeling of plexcitonic system, where strong plasmon-molecule coupling and/or strong-driving fields call for a quantized description of the plasmonic response.

Liquid mixtures can separate into phases with distinct composition. This phenomenon has recently come back to prominence due to its role in complex biological liquids, such as the cytoplasm, which contain thousands of components. For simple two-component mixtures phase-separated states are global free energy minima. However, local free energy minima, i.e. metastable states, are known to play a dominant role in complex systems with many components. For example, Hopfield neural networks can retrieve information from partial cues via relaxation to metastable states. Under what conditions can phase separated states be metastable, and what are the implications for information processing in multicomponent liquids? In this work we develop the general thermodynamic formalism of metastable phase separation. We then apply this formalism to an illustrative toy example inspired by recent experiments, binary mixtures with high-order interactions. Finally, as core application of the formalism, we study metastability in Hopfield liquids, a class of multicomponent mixtures capable of storing information on the composition of phases. We show that these phases can be retrieved from partial cues via metastable phase separation. Spatial simulations of liquids with a large number of components match our analytical solution. Our work suggests that complex biological mixtures can perform information retrieval through metastable phase separation.

We study energy minimization problems in quantum chemistry through the lens of computational algebraic geometry. We focus on minimizing the Rayleigh quotient of a Hamiltonian over a tensor train variety. The complex critical points of this problem approximate eigenstates of the quantum system, with the global minimum approximating the ground state. We call the number of critical points the Rayleigh-Ritz degree. We first study the Rayleigh-Ritz degree and introduce the Rayleigh-Ritz discriminant, which describes Hamiltonians that lead to a deficient number of critical points. We then specialize this framework to tensor train varieties: we identify instances when they are Segre products of projective spaces, report what we know about their defining ideals, and present a birational parametrization from products of Grassmannians. We use homotopy continuation to compute all critical points of this optimization problem over various tensor train and determinantal varieties. Finally, we use these results to benchmark state-of-the-art methods, the Alternating Linear Scheme and Density Matrix Renormalization Group.

Quantum networks and modular quantum computers require efficient spin-photon interfaces, often realized using optical resonators that enhance radiative decay on a desired transition. However, this requires small mode volumes and high quality factors, which limits multiplexing capacity and demands precise frequency tuning. Here, we demonstrate an alternative approach that circumvents these bottlenecks for upscaling. Using a W1 silicon photonic crystal waveguide with a tailored photonic bandgap, we selectively inhibit unwanted decay pathways, thereby redirecting emission to the desired transition. This enables efficient photon collection over a large frequency range, allowing the resolution and individual addressing of tens of erbium dopants. Their lifetimes are preserved, or even increased, compared to bulk material. The extended mode volume of the devices enables the use of lower dopant concentrations, thereby improving emitter coherence. Our approach can be combined with Purcell enhancement and applied to other spin-qubit platforms, opening intriguing perspectives for photonic quantum technologies.

We study double-well systems with strong magnetic fields and deep potential wells. We present lower bounds on tunneling rates for generic values of the coupling constant. This result was recently announced and complements our recent counter-example construction which exhibits vanishing tunneling for specially-constructed double-well potentials.

The Richards equation, a nonlinear elliptic parabolic equation, is widely used to model infiltration in porous media. We develop a finite element method for solving the Richards equation by introducing a new bounded auxiliary variable to eliminate unbounded terms in the weak formulation of the method. This formulation is discretized using a semi-implicit scheme and the resulting nonlinear system is solved using Newton's method. Our approach eliminates the need of regularization techniques and offers advantages in handling both dry and fully saturated zones. In the proposed techniques, a non-overlapping Schwarz domain decomposition method is used for modeling infiltration in layered soils. We apply the proposed method to solve the Richards equation using the Havercamp and van Genuchten models for the capillary pressure. Numerical experiments are performed to validate the proposed approach, including tests such as modeling flows in fibrous sheets where the initial medium is totally dry, two cases with fully saturated and dry regions, and an infiltration problem in layered soils. The numerical results demonstrate the stability and accuracy of the proposed numerical method. The numerical solutions remain positive in the presence of totally dry zones. The numerical investigations clearly demonstrated the capability of the proposed method to effectively predict the dynamics of flows in unsaturated soils.

We propose a fully mixed virtual element method for the numerical approximation of the coupling between linear poroelasticity equations with strong symmetry of total poroelastic stress (using the Hellinger--Reissner principle) and stress-altered solute diffusion (where diffusive flux depends on the poroelastic stress and nonlinearly on the concentration gradient). Because of the nonlinear coupling, the function spaces associated with the nonlinear diffusion sub-problem are of Banach type. To handle this structure, the solvability of both the continuous and discrete problems is established through a decoupled fixed-point strategy. The linear poroelasticity component is analysed using the theory for perturbed saddle-point problems, whereas the nonlinear diffusion problem, relies on the classical Minty--Browder theorem for monotone global operators. The existence of solutions for the fully coupled system is rigorously proven via Schauder's fixed-point theorem. Additionally, we establish rigorous a priori error estimates for the discrete scheme, successfully handling the strongly cross-coupled nonlinearities. These findings are supported by computational evidence, demonstrating that the formulation asymptotically recovers optimal convergence rates in practice. As a key contribution, both the numerical scheme and its underlying analysis prove to be robust with respect to the poromechanical parameters. Finally, several numerical examples are presented to illustrate the properties and applicability of the proposed scheme in the study of solute transport in the context of brain multiphysics.

Data assimilation (DA) estimates a dynamical system's state from noisy observations. Recent generative models like the ensemble score filter (EnSF) improve DA in high-dimensional nonlinear settings but are computationally expensive. We introduce the ensemble flow filter (EnFF), a training-free, flow matching (FM)-based framework that accelerates sampling and offers flexibility in flow design. EnFF uses Monte Carlo estimators for the marginal flow field, localized guidance for observation assimilation, and utilizes a novel flow path that exploits the Bayesian DA formulation. It generalizes classical filters such as the bootstrap particle filter and ensemble Kalman filter. Experiments on high-dimensional benchmarks demonstrate EnFF's improved cost-accuracy tradeoffs and scalability, highlighting FM's potential for efficient, scalable DA. Code is available at https://github.com/Utah-Math-Data-Science/Data-Assimilation-Flow-Matching.

We analyse the classic two-level additive Schwarz domain-decomposition GMRES preconditioner for finite-element discretisations of the Helmholtz equation with large wavenumber $k$, where both the fine and coarse spaces consist of piecewise polynomials with polynomial degree increasing like $\log k$. We exhibit choices of these fine and coarse spaces such that -- up to factors of $\log k$ -- both are pollution free (with the ratio of the coarse-space dimension to the fine-space dimension arbitrarily small), the number of degrees of freedom per subdomain is constant, and the number of GMRES iterations is proved to be bounded independently of $k$. These are the first $k$-explicit convergence results about a two-level Schwarz preconditioner for high-frequency Helmholtz with a coarse space that is pollution free and does not consist of problem-adapted basis functions.

Electrons bound to the surface of superfluid helium have been proposed for scalable charge and spin-based quantum computing. However single electron quantum measurement in this system has remained elusive. Here we use a hybrid circuit quantum electrodynamic (cQED) device that comprises a quantum dot and a high-impedance superconducting resonator to demonstrate, for the first time, strong coupling between the resonator microwave field and the motional quantum state of the electron. We find a coupling strength between the electron motion and a resonator photon of $g/2π=118$ MHz, exceeding both the electron motional state decoherence and the resonator loss. These experiments open new avenues for investigating light-matter interaction at the single electron level, and are a key step towards measurement and control of electrons on helium-based spin qubits.

The maximum entropy principle, as applied to quantum systems, is a fundamental prescript positing that for a quantum system for which we only have partial knowledge, the maximum entropy state consistent with the partial knowledge is a valuable choice as the system's state. An intriguing result is that in case the only prior knowledge is of a fixed energy, the maximum entropy state turns out to be the thermal state, a ubiquitous state in several arenas, especially in statistical mechanics. We extend the consequences of this principle from static quantum states to dynamic quantum processes. We establish that a quantum channel attains maximal output entropy under a fixed energy constraint if and only if it is an absolutely thermalizing channel, where the fixed output is the thermal state corresponding to that energy. Our results have potential implications for understanding the informational and thermodynamic utility of quantum channels under physical constraints. As an application, we examine the consequences for private randomness distillation from fixed energy constrained quantum processes.

The Kolmogorov-Zakharov stationary states for weak wave turbulence involve solving a leading-order kinetic equation. Recent calculations of higher-order corrections to this kinetic equation using the Martin-Siggia-Rose path integral are reconsidered in terms of stationary states of a Fokker-Planck Hamiltonian. A non-perturbative relation closely related to the quantum mechanical Ehrenfest theorem is introduced and used to express the kinetic equation in terms of divergences of two-point expectation values in the limit of zero dissipation. Similar equations are associated to divergences in higher-order cumulants. It is additionally shown that the ordinary thermal equilibrium state is not actually a stationary state of the Fokker-Planck Hamiltonian, and a non-linear modification of dissipation is considered to remedy this.

In the past two decades, enormous efforts have been made to search for possible platforms and schemes to implement topological quantum computation (TQC). In exploring the Fu-Kane scheme of TQC based on Josephson trijunctions constructed on topological insulators, the predicted Majorana phase diagram of an individual trijunction has already been verified experimentally. If Majorana zero modes indeed exist in this kind of trijunction, coupling between them in multiple trijunction devices should be further expected. In this study, we fabricated Josephson devices containing two adjacent Josephson trijunctions on the surface of Sn-(Bi, Sb)2(Te, S)3 and observed a possible signature of the coupling effect manifesting as the reopening of a minigap in both trijunctions where a closure would otherwise be expected if the trijunctions existed individually. While alternative interpretations cannot be fully ruled out, our findings provide experimental support for the validity of the Fu-Kane theory and provide further motivation for advancing the TQC scheme proposed by Fu and Kane.