Electronic Mechanism that Quenches Field-Driven Heating as Illustrated with the Static Holstein Model.

Time-dependent driving of quantum systems has emerged as a powerful tool to engineer exotic phases far from thermal equilibrium, but in the presence of many-body interactions it also leads to runaway heating, so that generic systems are believed to heat up until they reach a featureless infinite-temperature state. Understanding the mechanisms by which such a heat death can be slowed down or even avoided is a major goal-one such mechanism is to drive toward an even distribution of electrons in momentum space. Here we show how such a mechanism avoids runaway heating for an interacting charge-density-wave chain with a macroscopic number of conserved quantities when driven by a strong dc electric field; minibands with nontrivial distribution functions develop as the current is prematurely driven to zero. Moreover, when approaching a zero-temperature resonance, the field strength can tune between positive, negative, or close-to-infinite effective temperatures for each miniband. Our results suggest that nontrivial metastable distribution functions should be realized in the prethermal regime of quantum systems coupled to slow bosonic modes.

Positivity of the Spectral Densities of Retarded Floquet Green Functions.

Periodically driven nonequilibrium many-body systems are interesting because they have quasi-energy spectra, which can be tailored by controlling the external driving fields. We derive the general spectral representation of retarded Green functions in the Floquet regime, thereby generalizing the well-known Lehmann representation from equilibrium many-body physics. The derived spectral Floquet representation allows us to prove the non-negativity of spectral densities and to determine exact spectral sum rules, which can be employed to benchmark the accuracy of approximations to the exact Floquet many-body Green functions.

Engineered two-dimensional Ising interactions in a trapped-ion quantum simulator with hundreds of spins.

The presence of long-range quantum spin correlations underlies a variety of physical phenomena in condensed-matter systems, potentially including high-temperature superconductivity. However, many properties of exotic, strongly correlated spin systems, such as spin liquids, have proved difficult to study, in part because calculations involving N-body entanglement become intractable for as few as N ≈ 30 particles. Feynman predicted that a quantum simulator--a special-purpose 'analogue' processor built using quantum bits (qubits)--would be inherently suited to solving such problems. In the context of quantum magnetism, a number of experiments have demonstrated the feasibility of this approach, but simulations allowing controlled, tunable interactions between spins localized on two- or three-dimensional lattices of more than a few tens of qubits have yet to be demonstrated, in part because of the technical challenge of realizing large-scale qubit arrays. Here we demonstrate a variable-range Ising-type spin-spin interaction, J(i,j), on a naturally occurring, two-dimensional triangular crystal lattice of hundreds of spin-half particles (beryllium ions stored in a Penning trap). This is a computationally relevant scale more than an order of magnitude larger than previous experiments. We show that a spin-dependent optical dipole force can produce an antiferromagnetic interaction J(i,j) proportional variant d(-a)(i,j), where 0 ≤ a ≤ 3 and d(i,j) is the distance between spin pairs. These power laws correspond physically to infinite-range (a = 0), Coulomb-like (a = 1), monopole-dipole (a = 2) and dipole-dipole (a = 3) couplings. Experimentally, we demonstrate excellent agreement with a theory for 0.05 ≲ a ≲ 1.4. This demonstration, coupled with the high spin count, excellent quantum control and low technical complexity of the Penning trap, brings within reach the simulation of otherwise computationally intractable problems in quantum magnetism.

Spectroscopy and thermometry of drumhead modes in a mesoscopic trapped-ion crystal using entanglement.

We demonstrate spectroscopy and thermometry of individual motional modes in a mesoscopic 2D ion array using entanglement-induced decoherence as a method of transduction. Our system is a ~400 µm-diameter planar crystal of several hundred 9Be(+) ions exhibiting complex drumhead modes in the confining potential of a Penning trap. Exploiting precise control over the 9Be(+) valence electron spins, we apply a homogeneous spin-dependent optical dipole force to excite arbitrary transverse modes with an effective wavelength approaching the interparticle spacing (~20 µm). Center-of-mass displacements below 1 nm are detected via the entanglement of spin and motional degrees of freedom.

Real-time evolution of static electron-phonon models in time-dependent electric fields.

We present an exact Monte Carlo method to simulate the nonequilibrium dynamics of electron-phonon models in the adiabatic limit of zero phonon frequency. The classical nature of the phonons allows us to sample the equilibrium phonon distribution and efficiently evolve the electronic subsystem in a time-dependent electromagnetic field for each phonon configuration. We demonstrate that our approach is particularly useful for charge-density-wave systems experiencing pulsed electric fields, as they appear in pump-probe experiments. For the half-filled Holstein model in one and two dimensions, we calculate the out-of-equilibrium response of the current and the energy after a pulse is applied as well as the photoemission spectrum before and after the pump. Finite-size effects are under control for chains of 162 sites (in one dimension) or 16×16 square lattices (in two dimensions).

Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory.

The factorized form of unitary coupled cluster theory (UCC) is a promising wave-function ansatz for the variational quantum eigensolver algorithm. Here, we present a quantum-inspired classical algorithm for UCC based on an exact operator identity for the individual UCC factors. We implement this algorithm for calculations of the H10 linear chain and the H2O molecule with single and double ζ basis sets to provide insights into UCC as a wave-function ansatz. We find that for weakly correlated molecules, the factorized form of the UCC provides similar accuracy to conventional coupled cluster theory (CC); for strongly correlated molecules, where CC often breaks down, UCC significantly outperforms the configuration interaction (CI) ansatz. As a result, the factorized form of the UCC is an accurate, efficient, and reliable electronic structure method in both the weakly and strongly correlated regions. This classical algorithm now allows robust benchmarking of anticipated results from quantum computers and application of coupled-cluster techniques to more strongly correlated molecules.

Many-body thermodynamics on quantum computers via partition function zeros.

Partition functions are ubiquitous in physics: They are important in determining the thermodynamic properties of many-body systems and in understanding their phase transitions. As shown by Lee and Yang, analytically continuing the partition function to the complex plane allows us to obtain its zeros and thus the entire function. Moreover, the scaling and nature of these zeros can elucidate phase transitions. Here, we show how to find partition function zeros on noisy intermediate-scale trapped-ion quantum computers in a scalable manner, using the XXZ spin chain model as a prototype, and observe their transition from XY-like behavior to Ising-like behavior as a function of the anisotropy. While quantum computers cannot yet scale to the thermodynamic limit, our work provides a pathway to do so as hardware improves, allowing the future calculation of critical phenomena for systems beyond classical computing limits.

Application of Quantum Computing to Biochemical Systems: A Look to the Future.

Chemistry is considered as one of the more promising applications to science of near-term quantum computing. Recent work in transitioning classical algorithms to a quantum computer has led to great strides in improving quantum algorithms and illustrating their quantum advantage. Because of the limitations of near-term quantum computers, the most effective strategies split the work over classical and quantum computers. There is a proven set of methods in computational chemistry and materials physics that has used this same idea of splitting a complex physical system into parts that are treated at different levels of theory to obtain solutions for the complete physical system for which a brute force solution with a single method is not feasible. These methods are variously known as embedding, multi-scale, and fragment techniques and methods. We review these methods and then propose the embedding approach as a method for describing complex biochemical systems, with the parts not only treated with different levels of theory, but computed with hybrid classical and quantum algorithms. Such strategies are critical if one wants to expand the focus to biochemical molecules that contain active regions that cannot be properly explained with traditional algorithms on classical computers. While we do not solve this problem here, we provide an overview of where the field is going to enable such problems to be tackled in the future.

Nonequilibrium electron and lattice dynamics of strongly correlated Bi2Sr2CaCu2O8+δ single crystals.

The interplay between the electronic and lattice degrees of freedom in nonequilibrium states of strongly correlated systems has been debated for decades. Although progress has been made in establishing a hierarchy of electronic interactions with the use of time-resolved techniques, the role of the phonons often remains in dispute, a situation highlighting the need for tools that directly probe the lattice. We present the first combined megaelectron volt ultrafast electron diffraction and time- and angle-resolved photoemission spectroscopy study of optimally doped Bi2Sr2CaCu2O8+δ. Quantitative analysis of the lattice and electron subsystems' dynamics provides a unified picture of nonequilibrium electron-phonon interactions in the cuprates beyond the N-temperature model. The work provides new insights on the specific phonon branches involved in the nonequilibrium heat dissipation from the high-energy Cu-O bond stretching "hot" phonons to the lowest-energy acoustic phonons with correlated atomic motion along the <110> crystal directions and their characteristic time scales. It reveals a highly nonthermal phonon population during the first several picoseconds after the photoexcitation. The approach, taking advantage of the distinct nature of electrons and photons as probes, is applicable for studying energy relaxation in other strongly correlated electron systems.

Simulation of inhomogeneous distributions of ultracold atoms in an optical lattice via a massively parallel implementation of nonequilibrium strong-coupling perturbation theory.

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a trap potential. Since the theory is formulated self-consistently, the numerical implementation relies on a massively parallel evaluation of the self-energy and the Green's function at each lattice site, employing thousands of CPUs. While the computation of the self-energy is straightforward to parallelize, the evaluation of the Green's function requires the inversion of a large sparse 10(d) × 10(d) matrix, with d > 6. As a crucial ingredient, our solution heavily relies on the smallness of the hopping as compared to the interaction strength and yields a widely scalable realization of a rapidly converging iterative algorithm which evaluates all elements of the Green's function. Results are validated by comparing with the homogeneous case via the local-density approximation. These calculations also show that the local-density approximation is valid in nonequilibrium setups without mass transport.

Phase separation due to quantum mechanical correlations.

Can phase separation be induced by strong electron correlations? We present a theorem that affirmatively answers this question in the Falicov-Kimball model away from half filling, for any dimension. In the ground state the itinerant electrons are spatially separated from the classical particles.