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At least 145 records · Page 8

Loops in 4+1d topological phases

2+1d topological phases are well characterized by the fusion rules and braiding/exchange statistics of fractional point excitations. In 4+1d, some topological phases contain only fractional loop excitations. What kind of loop statistics exist? We study the 4+1d gauge theory with 2-form \mathbb{Z}_2 ℤ 2 gauge field (the loop-only toric code) and find that while braiding statistics between two different types of loops can be nontrivial, the self “exchange” statistics are all trivial. In particular, we show that the electric, magnetic, and dyonic loop excitations in the 4+1d toric code are not distinguished by their self-statistics. They tunnel into each other across 3+1d invertible domain walls which in turn give explicit unitary circuits that map the loop excitations into each other. The SL(2, \mathbb{Z}_2 ℤ 2 ) symmetry that permutes the loops, however, cannot be consistently gauged and we discuss the associated obstruction in the process. Moreover, we discuss a gapless boundary condition dubbed the “fractional Maxwell theory” and show how it can be Higgsed into gapped boundary conditions. We also discuss the generalization of these results from the \mathbb{Z}_2 ℤ 2 gauge group to \mathbb{Z}_N ℤ N .

Chen, Xie↗

Effect of microphase separation on the limiting current density in hybrid organic-inorganic copolymer electrolytes

Hybrid organic-inorganic block copolymer electrolytes are of interest to enable batteries containing lithium metal anodes. The conductive block is a standard polymer electrolyte of poly(ethylene oxide) and the mechanically rigid block is an inorganic poly(acryloisobutyl polyhedral oligomeric silsesquioxane) polymer. Here, in this paper, we compare a poly(acryloisobutyl polyhedral oligomeric silsesquioxane)-b-poly(ethylene oxide)-b-poly(acryloisobutyl polyhedral oligomeric silsesquioxane) (POSS-PEO-POSS) triblock copolymer and a poly(ethylene oxide)-b- poly(acryloisobutyl polyhedral oligomeric silsesquioxane) (PEO-POSS) diblock copolymer mixed with lithium bis(trifluoromethanesulfonyl)imide salt. We have experimentally measured the limiting current density in lithium symmetric cells containing hybrid organic-inorganic electrolytes at 90 °C. The cells were polarized at a large range of applied current density. The diblock copolymer electrolyte exhibited a clear plateau in cell potential at all current densities below the limiting current density. At low applied current density, the triblock copolymer electrolyte also exhibited a clear plateau in cell potential. At currents approaching the limiting current density, the triblock copolymer electrolyte exhibited an underdamped potential profile. The cell potential did not reach a plateau at current densities above the limiting current in both systems. The diblock and triblock copolymer electrolytes were fully characterized using electrochemical methods to determine the ionic conductivity, cation current fraction, salt diffusion coefficient, and open circuit voltage as a function of salt concentration. Cell potential and salt concentration as functions of position in the cell at various current densities were calculated using Newman's concentrated solution theory. The theoretical limiting current density was calculated to be the current density at which salt is depleted at the cathode. We see quantitative agreement between experimental measurements and theoretical predictions for the limiting current density in the diblock copolymer electrolyte which has an ordered structure at all salt concentrations, while the experimental limiting current density is lower than the theoretical prediction for the triblock copolymer electrolyte, which exhibits a disordered morphology at high salt concentrations.

25 ENERGY STORAGE↗

Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides

Strain engineering can modulate the material properties of two-dimensional (2D) sem- iconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron mobility of monolayer MoS 2 , a 2D semiconductor, but the effects of biaxial strain on charge transport are not well-understood in 2D semiconductors. Here, we use biaxial tensile strain on flexible substrates to probe the electron mobility in monolayer WS 2 and MoS 2 transistors. Further, this approach experimentally achieves ~2× higher on-state current and mobility with ~0.3% applied biaxial strain in WS 2 , the highest mobility improvement at the lowest strain reported to date. We also examine the mechanisms behind this improvement through density functional theory simulations, concluding that the enhancement is primarily due to reduced intervalley electron-phonon scattering. These results underscore the role of strain engineering 2D semiconductors for flexible electronics, sensors, integrated circuits, and other opto-electronic applications.

2D materials↗

Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 2 14 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10 -3 , which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%.

42 ENGINEERING↗

Optimization performance, fidelity, and cost: SIAM VQE

This dataset contains files storing results from classically-simulated quantum subroutines within a dynamical mean-field theory workflow, and jupyter notebooks processing the data in these files to generate plots. The files store: (1) Results from variational quantum eigensolver (VQE) simulations searching for optimal parameters allowing parametrized quantum circuits to prepare approximations to ground states of different Anderson impurity models (AIMs) (2) Results from simulations of a quantum Lanczos algorithm (QLA) estimating the Lanczos coefficients defining the continued-fraction representation of an (AIM) Green’s function Description: Any file named vqe_gs_results* stores approximations to the ground state and energy of a given AIM estimated using three different methods: (1) Numerical diagonalization (2) Ideal VQE simulation (3) VQE simulation with sampling noise For each VQE simulations metadata about the optimization (optimization results plus number of quantum circuits that would have been executed on real hardware) is also stored. Any file named qla_dos_results* estimations for the Lanczos coefficients defining the Green’s function of an AIM. The stored estimations are achieved using different methods: (1) Numerical Lanczos algorithm from initial states obtained from numerical diagonalization (2) Simulated quantum Lanczos algorithm from initial states prepared from parametrized quantum circuits yielded by corresponding ideal and noisy VQE subroutines. The dataset is used and described in M. Karabin et al., "Quantum solver for single-impurity Anderson models with particle-hole symmetry", Phys. Rev. Research 8, 033066 (2026). DOI: https://doi.org/10.1103/7ys3-tl4l

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices

Circuit quantum electrodynamics enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e. qubit-oscillator) operations are realizable only through optimal control theory, which is oftentimes intractable and uninterpretable. We introduce an analytic approach with rigorously proven error bounds for realizing specific classes of operations via two matrix product formulas commonly used in Hamiltonian simulation, the Lie–Trotter–Suzuki and Baker–Campbell–Hausdorff product formulas. We show how this technique can be used to realize a number of operations of interest, including polynomials of annihilation and creation operators, namely (a) p (a † ) q for integer p, q. We show examples of this paradigm including obtaining universal control within a subspace of the entire Fock space of an oscillator, state preparation of a fixed photon number in the cavity, simulation of the Jaynes–Cummings Hamiltonian, and simulation of the Hong-Ou-Mandel effect. This work demonstrates how techniques from Hamiltonian simulation can be applied to better control hybrid qubit-boson devices.

bosonic qubits↗

On infinite tensor networks, complementary recovery and type II factors

We initiate a study of local operator algebras at the boundary of infinite tensor networks, using the mathematical theory of inductive limits. In particular, we consider tensor networks in which each layer acts as a quantum code with complementary recovery, a property that features prominently in the bulk-to-boundary maps intrinsic to holographic quantum error-correcting codes. In this case, we decompose the limiting Hilbert space and the algebras of observables in a way that keeps track of the entanglement in the network. As a specific example, we describe this inductive limit for the holographic Harlow-Pastawski-Preskill-Yoshida code model and relate its algebraic and error-correction features. We find that the local algebras in this model are given by the hyperfinite type II$_\infty$ factor. Next, we discuss other networks that build upon this framework and comment on a connection between type II factors and stabilizer circuits. We conclude with a discussion of multiscale entanglement renormalization ansatz networks in which complementary recovery is broken. We argue that this breaking possibly permits a limiting type III von Neumann algebra, making them more suitable ansätze for approximating subregions of quantum field theories.

holographic dualities↗

Hydrogen-induced degradation dynamics in silicon heterojunction solar cells via machine learning

Abstract Among silicon-based solar cells, heterojunction cells hold the world efficiency record. However, their market acceptance is hindered by an initial 0.5% per year degradation of their open circuit voltage which doubles the overall cell degradation rate. Here, we study the performance degradation of crystalline-Si/amorphous-Si:H heterojunction stacks. First, we experimentally measure the interface defect density over a year, the primary driver of the degradation. Second, we develop SolDeg, a multiscale, hierarchical simulator to analyze this degradation by combining Machine Learning, Molecular Dynamics, Density Functional Theory, and Nudged Elastic Band methods with analytical modeling. We discover that the chemical potential for mobile hydrogen develops a gradient, forcing the hydrogen to drift from the interface, leaving behind recombination-active defects. We find quantitative correspondence between the calculated and experimentally determined defect generation dynamics. Finally, we propose a reversed Si-density gradient architecture for the amorphous-Si:H layer that promises to reduce the initial open circuit voltage degradation from 0.5% per year to 0.1% per year.

14 SOLAR ENERGY↗

Block encoding bosons by signal processing

Block Encoding (BE) is a crucial subroutine in many modern quantum algorithms, including those with near-optimal scaling for simulating quantum many-body systems, which often rely on Quantum Signal Processing (QSP). Currently, the primary methods for constructing BEs are the Linear Combination of Unitaries (LCU) and the sparse oracle approach. In this work, we demonstrate that QSP-based techniques, such as Quantum Singular Value Transformation (QSVT) and Quantum Eigenvalue Transformation for Unitary Matrices (QETU), can themselves be efficiently utilized for BE implementation. Specifically, we present several examples of using QSVT and QETU algorithms, along with their combinations, to block encode Hamiltonians for lattice bosons, an essential ingredient in simulations of high-energy physics. We also introduce a straightforward approach to BE based on the exact implementation of Linear Operators Via Exponentiation and LCU (LOVE-LCU). We find that, while using QSVT for BE results in the best asymptotic gate count scaling with the number of qubits per site, LOVE-LCU outperforms all other methods for operators acting on up to qubits, highlighting the importance of concrete circuit constructions over mere comparisons of asymptotic scalings. Using LOVE-LCU to implement the BE, we simulate the time evolution of single-site and two-site systems in the lattice theory using the Generalized QSP algorithm and compare the gate counts to those required for Trotter simulation.

Kane, Christopher F↗

Clifford orbits from cayley graph quotients

We describe the structure of the $n$-qubit Clifford group $\mathcal{C}_n$ via Cayley graphs, whose vertices represent group elements and edges represent generators. In order to obtain the action of Clifford gates on a given quantum state, we introduce a quotient procedure. Quotienting the Cayley graph by the stabilizer subgroup of a state gives a reduced graph which depicts the state's Clifford orbit. Using this protocol for $\mathcal{C}_2$, we reproduce and generalize the reachability graphs. Since the procedure is state-independent, we extend our study to non-stabilizer states, including the W and Dicke states. Furthermore, our new construction provides a more precise understanding of state evolution under Clifford circuit action.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Benchmarking and Fidelity Response Theory of High-Fidelity Rydberg Entangling Gates

The fidelity of entangling operations is a key figure of merit in quantum information processing, especially in the context of quantum error correction. High-fidelity entangling gates in neutral atoms have seen remarkable advancement recently. A full understanding of error sources and their respective contributions to gate infidelity will enable the prediction of fundamental limits on quantum gates in neutral atom platforms with realistic experimental constraints. In this work, we implement the time-optimal Rydberg controlled-Z (CZ) gate, design a circuit to benchmark its fidelity, and achieve a fidelity, averaged over symmetric input states, of 0.9971 ( 5 ) , downward corrected for leakage error, which together with our recent work [Nature 634, 321–327 (2024)] forms a new state of the art for neutral atoms. The remaining infidelity is explained by an error model, consistent with our experimental results over a range of gate speeds, with varying contributions from different error sources. Further, we develop a fidelity response theory to efficiently predict infidelity from laser noise with nontrivial power spectral densities and derive scaling laws of infidelity with gate speed. Besides its capability of predicting gate fidelity, we also utilize the fidelity response theory to compare and optimize gate protocols, to learn laser frequency noise, and to study the noise response for quantum simulation tasks. Finally, we predict that a CZ gate fidelity of ≳ 0.999 is feasible with realistic experimental upgrades. Published by the American Physical Society 2025

Tsai, Richard Bing-Shiun (ORCID:0000000286758677)↗

Variational Adiabatic Gauge Transformation on Real Quantum Hardware for Effective Low-Energy Hamiltonians and Accurate Diagonalization

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their applicability to weak interactions. Here we introduce the Variational Adiabatic Gauge Transformation (VAGT), a nonperturbative hybrid quantum algorithm that can use nowadays quantum computers to learn the variational parameters of the unitary circuit that brings the Hamiltonian to either its block-diagonal or full-diagonal form. If a Hamiltonian can be diagonalized via a shallow quantum circuit, then VAGT can learn the optimal parameters using a polynomial number of runs. The accuracy of VAGT is tested through numerical simulations, as well as simulations on Rigetti and IonQ quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Membrane Degradation in PEM Fuel Cells: Part I. Modeling Gas Crossover and the Pt Band

Understanding chemical degradation of the proton-exchange membrane in fuel cells is crucial for extending their lifetimes. Herein, various degradation reactions reported in literature are organized and analyzed, including direct radical generation and an indirect (Fenton) pathway. To understand the transport of dissolved H 2 and O 2 crossover gases as they relate to membrane degradation, an agglomerate-scale model is introduced, treating gas, ionomer, and catalyst as discrete phases. The model reveals a key phenomenon: at working potentials, dissolved gases are mostly consumed at the interface between the catalyst layer and the membrane, leaving little gas to cross the membrane. Under open-circuit conditions, dissolved gases are not consumed and can then cross the membrane. This explains high H 2 O 2 concentrations and degradation rates seen in experiments but not captured in previous models. Following mixed-potential theory, crossover gases supply the hydrogen-oxidation and oxygen-reduction reactions, which occur simultaneously on individual Pt particles comprising the Pt band in the membrane, forming reactive species (H 2 O 2 , OH·). Results show crossover gas almost entirely reacts on the Pt band, allowing little to reach the opposite electrode. Furthermore, the micro-scale geometry of the catalyst-layer/membrane interface impacts the gas crossover at working potentials, indicating that cell construction affects membrane durability.

Johnson, Evan F. [Lawrence Berkeley National Labor↗

Random Circuits in the Black Hole Interior

In this paper, we present a quantitative holographic relation between a microscopic measure of randomness and the geometric length of the wormhole in the black hole interior. To this end, we perturb an AdS black hole with Brownian semiclassical sources, implementing the continuous version of a random quantum circuit for the black hole. We use the random circuit to prepare ensembles of states of the black hole whose semiclassical duals contain Einstein-Rosen (ER) caterpillars: long cylindrical wormholes with large numbers of matter inhomogeneities, of linearly growing length with the circuit time. In this setup, we show semiclassically that the ensemble of ER caterpillars of average length $k\ell_Δ$ and matter correlation scale $\ell_Δ$ forms an approximate quantum state $k$-design of the black hole. At exponentially long circuit times, the ensemble of ER caterpillars becomes polynomial-copy indistinguishable from a collection of random states of the black hole. We comment on the implications of these results for holographic circuit complexity and for the holographic description of the black hole interior.

FOS: Physical sciences↗

Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films

Qubits made from superconducting materials are a mature platform for quantum information science application, such as quantum computing. However, material-based losses are now a limiting factor in reaching the coherence times needed for applications. In particular, knowledge of the atomistic structure and properties of the circuit materials is needed to identify, understand, and mitigate material-based decoherence channels. Here, we characterize the atomic structure of the native oxide film formed on Nb resonators by comparing fluctuation electron microscopy experiments to density functional theory calculations, finding that an amorphous layer is consistent with an Nb 2 O 5 stoichiometry. Comparing x-ray absorption measurements at the Oxygen K edge with first-principles calculations, we find evidence of d-type magnetic impurities in our sample, known to cause impedance in proximal superconductors. This work identifies the structural and chemical composition of the oxide layer grown on Nb superconductors and shows that soft x-ray absorption can fingerprint magnetic impurities in these superconducting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LLNL FESP Theory Highlights: October 2024

I. Novikau, I. Y. Dodin, E. A. Startsev, I. Joseph, Quantum algorithms for simulating dissipative linear and nonlinear dynamics of plasmas. Invited talk at the 66th Annual Meeting of the APS Division of Plasma Physics, Atlanta, Georgia. Novikau I., Dodin I.Y., Startsev E.A., Encoding of linear kinetic plasma problems in quantum circuits via data compression, Journal of Plasma Physics. 2024;90(4):805900401, doi:10.1017/S0022377824000795. We propose an algorithm for encoding linear kinetic plasma problems in quantum circuits. The focus is on modelling electrostatic linear waves in a one-dimensional Maxwellian electron plasma. The waves are described by the linearized Vlasov–Ampère system with a spatially localized external current that drives plasma oscillations. This system is formulated as a boundary-value problem and cast in the form of a linear vector equation to be solved by using the quantum signal processing algorithm. The latter requires encoding of a matrix in a quantum circuit as a sub-block of a unitary matrix. We propose how to encode in a circuit in a compressed form and discuss how the resulting circuit scales with the problem size and the desired precision.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Strategies for simulating the time evolution of Hamiltonian lattice field theories

Simulating the time evolution of quantum field theories given some Hamiltonian H requires developing algorithms for implementing the unitary operator e -iHt . A variety of techniques exist that accomplish this task, with the most common technique used so far being Trotterization, which is a special case of the application of a product formula. However, other techniques exist that promise better asymptotic scaling in certain parameters of the theory being simulated, the most efficient of which are based on the concept of block encoding. In this work we study the performance of such algorithms in simulating lattice field theories. We derive and compare the asymptotic gate complexities of several commonly used simulation techniques in application to Hamiltonian lattice field theories. Using the scalar $\hat{φ}$ 4 theory as a test, we also perform numerical studies and compare the gate costs required by product formulas and signal-processing-based techniques to simulate time evolution. For the latter, we use the linear combination of unitaries (LCU) construction augmented with the quantum Fourier transform circuit to switch between the field and momentum eigenbases, which leads to immediate order-of-magnitude improvement in the cost of preparing the block encoding. Further, this paper also includes a pedagogical review of the techniques used, in particular product formulas, LCU, qubitization, quantum signal processing, as well as the technique for simulating geometrically-local Hamiltonians developed by Haah, Hastings, Kothari, and Low.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗