Short-time accuracy and intra-electron correlation for nonadiabatic quantum-classical mapping approaches.

Nonadiabatic quantum-classical mapping approaches have significantly gained in popularity over the past several decades because they have acceptable accuracy while remaining numerically tractable even for large system sizes. In the recent few years, several novel mapping approaches have been developed that display higher accuracy than the traditional Ehrenfest method, linearized semiclassical initial value representation (LSC-IVR), and Poisson bracket mapping equation (PBME) approaches. While various benchmarks have already demonstrated the advantages and limitations of those methods, unified theoretical justifications of their short-time accuracy are still demanded.

Quantum-inspired encoding enhances stochastic sampling of soft matter systems.

Quantum advantage in solving physical problems is still hard to assess due to hardware limitations. However, algorithms designed for quantum computers may engender transformative frameworks for modeling and simulating paradigmatically hard systems. Here, we show that the quadratic unconstrained binary optimization encoding enables tackling classical many-body systems that are challenging for conventional Monte Carlo.

Engineering random spin models with atoms in a high-finesse cavity.

All-to-all interacting, disordered quantum many-body models have a wide range of applications across disciplines, from spin glasses in condensed-matter physics over holographic duality in high-energy physics to annealing algorithms in quantum computing. Typically, these models are abstractions that do not find unambiguous physical realizations in nature. Here we realize an all-to-all interacting, disordered spin system by subjecting an atomic cloud in a cavity to a controllable light shift.

Hydrogenation versus hydrogenolysis during alkaline electrochemical valorization of 5-hydroxymethylfurfural over oxide-derived Cu-bimetallics.

The electrochemical conversion of 5-Hydroxymethylfurfural, especially its reduction, is an attractive green production pathway for carbonaceous e-chemicals. We demonstrate the reduction of 5-Hydroxymethylfurfural to 5-Methylfurfurylalcohol under strongly alkaline reaction environments over oxide-derived Cu bimetallic electrocatalysts. We investigate whether and how the surface catalysis of the MO phases tune the catalytic selectivity of oxide-derived Cu with respect to the 2-electron hydrogenation to 2.

Dynamics of Stripe Patterns in Supersolid Spin-Orbit-Coupled Bose Gases.

Despite ground-breaking observations of supersolidity in spin-orbit-coupled Bose-Einstein condensates, until now the dynamics of the emerging spatially periodic density modulations has been vastly unexplored. Here, we demonstrate the nonrigidity of the density stripes in such a supersolid condensate and explore their dynamic behavior subject to spin perturbations. We show both analytically in infinite systems and numerically in the presence of a harmonic trap how spin waves affect the supersolid's density profile in the form of crystal waves, inducing oscillations of the periodicity as well as the orientation of the fringes.

Sampling rare conformational transitions with a quantum computer.

Structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, Molecular Dynamics (MD) simulations enable us to investigate these thermally activated processes with an atomic level of resolution. In practice, an exponentially large fraction of computational resources must be invested to simulate thermal fluctuations in metastable states.

Thermalization dynamics of a gauge theory on a quantum simulator.

Gauge theories form the foundation of modern physics, with applications ranging from elementary particle physics and early-universe cosmology to condensed matter systems. We perform quantum simulations of the unitary dynamics of a U(1) symmetric gauge field theory and demonstrate emergent irreversible behavior. The highly constrained gauge theory dynamics are encoded in a one-dimensional Bose-Hubbard simulator, which couples fermionic matter fields through dynamical gauge fields.

Exciting the Goldstone Modes of a Supersolid Spin-Orbit-Coupled Bose Gas.

Supersolidity is deeply connected with the emergence of Goldstone modes, reflecting the spontaneous breaking of both phase and translational symmetry. Here, we propose accessible signatures of these modes in harmonically trapped spin-orbit-coupled Bose-Einstein condensates, where supersolidity appears in the form of stripes. By suddenly changing the trapping frequency, an axial breathing oscillation is generated, whose behavior changes drastically at the critical Raman coupling.

Polymer Physics by Quantum Computing.

Sampling equilibrium ensembles of dense polymer mixtures is a paradigmatically hard problem in computational physics, even in lattice-based models. Here, we develop a formalism based on interacting binary tensors that allows for tackling this problem using quantum annealing machines. Our approach is general in that properties such as self-avoidance, branching, and looping can all be specified in terms of quadratic interactions of the tensors.

Generalized discrete truncated Wigner approximation for nonadiabatic quantum-classical dynamics.

Nonadiabatic molecular dynamics occur in a wide range of chemical reactions and femtochemistry experiments involving electronically excited states. These dynamics are hard to treat numerically as the system's complexity increases, and it is thus desirable to have accurate yet affordable methods for their simulation. Here, we introduce a linearized semiclassical method, the generalized discrete truncated Wigner approximation (GDTWA), which is well-established in the context of quantum spin lattice systems, into the arena of chemical nonadiabatic systems.

Dominant Reaction Pathways by Quantum Computing.

Characterizing thermally activated transitions in high-dimensional rugged energy surfaces is a very challenging task for classical computers. Here, we develop a quantum annealing scheme to solve this problem. First, the task of finding the most probable transition paths in configuration space is reduced to a shortest-path problem defined on a suitable weighted graph.

Observation of gauge invariance in a 71-site Bose-Hubbard quantum simulator.

The modern description of elementary particles, as formulated in the standard model of particle physics, is built on gauge theories. Gauge theories implement fundamental laws of physics by local symmetry constraints. For example, in quantum electrodynamics Gauss's law introduces an intrinsic local relation between charged matter and electromagnetic fields, which protects many salient physical properties, including massless photons and a long-ranged Coulomb law.

Reliability of Lattice Gauge Theories.

Currently, there are intense experimental efforts to realize lattice gauge theories in quantum simulators. Except for specific models, however, practical quantum simulators can never be fine-tuned to perfect local gauge invariance. There is thus a strong need for a rigorous understanding of gauge-invariance violation and how to reliably protect against it.

Perspectives of quantum annealing: methods and implementations.

Quantum annealing is a computing paradigm that has the ambitious goal of efficiently solving large-scale combinatorial optimization problems of practical importance. However, many challenges have yet to be overcome before this goal can be reached. This perspectives article first gives a brief introduction to the concept of quantum annealing, and then highlights new pathways that may clear the way towards feasible and large scale quantum annealing.

A scalable realization of local U(1) gauge invariance in cold atomic mixtures.

In the fundamental laws of physics, gauge fields mediate the interaction between charged particles. An example is the quantum theory of electrons interacting with the electromagnetic field, based on U(1) gauge symmetry. Solving such gauge theories is in general a hard problem for classical computational techniques.

Quantum localization bounds Trotter errors in digital quantum simulation.

A fundamental challenge in digital quantum simulation (DQS) is the control of an inherent error, which appears when discretizing the time evolution of a quantum many-body system as a sequence of quantum gates, called Trotterization. Here, we show that quantum localization-by constraining the time evolution through quantum interference-strongly bounds these errors for local observables, leading to an error independent of system size and simulation time. DQS is thus intrinsically much more robust than suggested by known error bounds on the global many-body wave function.

Environment-Assisted Quantum Transport in a 10-qubit Network.

The way in which energy is transported through an interacting system governs fundamental properties in nature such as thermal and electric conductivity or phase changes. Remarkably, environmental noise can enhance the transport, an effect known as environment-assisted quantum transport (ENAQT). In this Letter, we study ENAQT in a network of coupled spins subject to engineered static disorder and temporally varying dephasing noise.

Relating Out-of-Time-Order Correlations to Entanglement via Multiple-Quantum Coherences.

Out-of-time-order correlations (OTOCs) characterize the scrambling, or delocalization, of quantum information over all the degrees of freedom of a system and thus have been proposed as a proxy for chaos in quantum systems. Recent experimental progress in measuring OTOCs calls for a more thorough understanding of how these quantities characterize complex quantum systems, most importantly in terms of the buildup of entanglement. Although a connection between OTOCs and entanglement entropy has been derived, the latter only quantifies entanglement in pure systems and is hard to access experimentally.

Real-time dynamics of lattice gauge theories with a few-qubit quantum computer.

Gauge theories are fundamental to our understanding of interactions between the elementary constituents of matter as mediated by gauge bosons. However, computing the real-time dynamics in gauge theories is a notorious challenge for classical computational methods. This has recently stimulated theoretical effort, using Feynman's idea of a quantum simulator, to devise schemes for simulating such theories on engineered quantum-mechanical devices, with the difficulty that gauge invariance and the associated local conservation laws (Gauss laws) need to be implemented.

A quantum annealing architecture with all-to-all connectivity from local interactions.

Quantum annealers are physical devices that aim at solving NP-complete optimization problems by exploiting quantum mechanics. The basic principle of quantum annealing is to encode the optimization problem in Ising interactions between quantum bits (qubits). A fundamental challenge in building a fully programmable quantum annealer is the competing requirements of full controllable all-to-all connectivity and the quasi-locality of the interactions between physical qubits.

Non-standard Hubbard models in optical lattices: a review.

Originally, the Hubbard model was derived for describing the behavior of strongly correlated electrons in solids. However, for over a decade now, variations of it have also routinely been implemented with ultracold atoms in optical lattices, allowing their study in a clean, essentially defect-free environment. Here, we review some of the vast literature on this subject, with a focus on more recent non-standard forms of the Hubbard model.

Tomography of band insulators from quench dynamics.

We propose a simple scheme for tomography of band-insulating states in one- and two-dimensional optical lattices with two sublattice states. In particular, the scheme maps out the Berry curvature in the entire Brillouin zone and extracts topological invariants such as the Chern number. The measurement relies on observing--via time-of-flight imaging--the time evolution of the momentum distribution following a sudden quench in the band structure.

Non-abelian gauge fields and topological insulators in shaken optical lattices.

Time-periodic driving like lattice shaking offers a low-demanding method to generate artificial gauge fields in optical lattices. We identify the relevant symmetries that have to be broken by the driving function for that purpose and demonstrate the power of this method by making concrete proposals for its application to two-dimensional lattice systems: We show how to tune frustration and how to create and control band touching points like Dirac cones in the shaken kagome lattice. We propose the realization of a topological and a quantum spin Hall insulator in a shaken spin-dependent hexagonal lattice.

Can one trust quantum simulators?

Various fundamental phenomena of strongly correlated quantum systems such as high-T(c) superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int.