Focus on Quantum Simulation

The endeavour to control increasingly larger systems of particles at the quantum level is a natural goal, and will be a driving force for the physical sciences in the coming decades. The control of a many-body system at the highest level possible can indeed be regarded as the ultimate form of engineering. Within this general research avenue, building quantum simulators and performing experimental quantum simulations will play a key role. A quantum simulator is a promising candidate to become the first application of quantum information science reaching beyond classical limitations [1], since the requirements on the number of quantum particles and fidelities of operations are predicted to be substantially relaxed compared to that envisioned for a universal quantum computer. This issue forms an extensive open-access resource spanning the various areas of experimental quantum simulation, from its relation to quantum information processing to its potential use for different applications.

Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. We propose methods which substantially improve the performance of a particular form of simulation, ab initio quantum chemistry, on fault-tolerant quantum computers; these methods generalize readily to other quantum simulation problems. Quantum teleportation plays a key role in these improvements and is used extensively as a computing resource. To improve execution time, we examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay–Kitaev algorithm (Dawson and Nielsen 2006 Quantum Inform. Comput. 6 81). For a given approximation error , arbitrary single-qubit gates can be produced fault-tolerantly and using a restricted set of gates in time which is O(log ) or O(log log ); with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for lithium hydride.

Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred with remarkably high efficiency to a reaction center. This transport is affected by the motion of a structured vibrational environment, which makes simulations on a classical computer very demanding. Here we propose an analog quantum simulator of complex open system dynamics with a precisely engineered quantum environment. Our setup is based on superconducting circuits, a well established technology. As an example, we demonstrate that it is feasible to simulate exciton transport in the Fenna–Matthews–Olson photosynthetic complex. Our approach allows for a controllable single-molecule simulation and the investigation of energy transfer pathways as well as non-Markovian noise-correlation effects.

A collection of trapped atomic ions represents one of the most attractive platforms for the quantum simulation of interacting spin networks and quantum magnetism. Spin-dependent optical dipole forces applied to an ion crystal create long-range effective spin–spin interactions and allow the simulation of spin Hamiltonians that possess nontrivial phases and dynamics. Here we show how the appropriate design of laser fields can provide for arbitrary multidimensional spin–spin interaction graphs even for the case of a linear spatial array of ions. This scheme uses currently available trap technology and is scalable to levels where the classical methods of simulation are intractable.

The optimization of two-dimensional (2D) lattice ion trap geometries for trapped ion quantum simulation is investigated. The geometry is optimized for the highest ratio of ion–ion interaction rate to decoherence rate. To calculate the electric field of such array geometries a numerical simulation based on a 'Biot–Savart like law' method is used. In this article we will focus on square, hexagonal and centre rectangular lattices for optimization. A method for maximizing the homogeneity of trapping site properties over an array is presented for arrays of a range of sizes. We show how both the polygon radii and separations scale to optimize the ratio between the interaction and decoherence rate. The optimal polygon radius and separation for a 2D lattice is found to be a function of the ratio between radio-frequency (rf) voltage and drive frequency applied to the array. We then provide a case study for ¹⁷¹Yb⁺ ions to show how a 2D quantum simulator array could be designed.

We examine the prospects of discrete quantum walks (QWs) with trapped ions. In particular, we analyze in detail the limitations of the protocol of Travaglione and Milburn (2002 Phys. Rev. A 65 032310) that has been implemented by several experimental groups in recent years. Based on the first realization in our group (Schmitz et al 2009 Phys. Rev. Lett. 103 090504), we investigate the consequences of leaving the scope of the approximations originally made, such as the Lamb–Dicke approximation. We explain the consequential deviations from the idealized QW for different experimental realizations and an increasing number of steps by taking into account higher-order terms of the quantum evolution. It turns out that these already become significant after a few steps, which is confirmed by experimental results and is currently limiting the scalability of this approach. Finally, we propose a new scheme using short laser pulses, derived from a protocol from the field of quantum computation. We show that this scheme is not subject to the above-mentioned restrictions and analytically and numerically evaluate its limitations, based on a realistic implementation with our specific setup. Implementing the protocol with state-of-the-art techniques should allow for substantially increasing the number of steps to 100 and beyond and should be extendable to higher-dimensional QWs.

We present a proposal for a versatile cold-atom-based quantum simulator of relativistic fermionic theories and topological insulators in arbitrary dimensions. The setup consists of a spin-independent optical lattice that traps a collection of hyperfine states of the same alkaline atom, to which the different degrees of freedom of the field theory to be simulated are then mapped. We show that the combination of bi-chromatic optical lattices with Raman transitions can allow the engineering of a spin-dependent tunneling of the atoms between neighboring lattice sites. These assisted-hopping processes can be employed for the quantum simulation of various interesting models, ranging from non-interacting relativistic fermionic theories to topological insulators. We present a toolbox for the realization of different types of relativistic lattice fermions, which can then be exploited to synthesize a majority of phases in the periodic table of topological insulators.

We propose the realization of linear crystals of cold ions that contain different atomic species for investigating quantum phase transitions and frustration effects in spin systems beyond the commonly considered case of $s=\frac {1}{2}$. Mutual spin–spin interactions between ions can be tailored via the Zeeman effect by applying oscillating magnetic fields with strong gradients. Further, collective vibrational modes in the mixed ion crystal can be used to enhance and to vary the strength of spin–spin interactions and even to switch the nature of the interacting forces from a ferro- to an antiferromagnetic character. We consider the behavior of the effective spin–spin couplings in an ion crystal of spin-1/2 ions doped with high-magnetic-moment ions with spin S = 3. We analyze the ground state phase diagram and find regions with different spin orders including ferrimagnetic states. In the most simple nontrivial example, we deal with a linear {Ca⁺,Mn⁺,Ca⁺} crystal with spins of $\{\frac {1}{2},3,\frac {1}{2}\}$. To demonstrate feasibility with current state-of-the-art experiments, we discuss how quantum phases might be detected using a collective Stern–Gerlach effect of the ion crystal and high-resolution spectroscopy. Here, the state-dependent laser-induced fluorescence of the indicator spin-1/2 ion, of species ⁴⁰Ca⁺, is used to reveal also the spin state of the simulator spin-3 ions, ⁵⁰Mn⁺, which does not possess suitable levels for optical excitation and detection.

We present a detailed study of quantum simulations of coupled spin systems in surface-electrode (SE) ion-trap arrays, and illustrate our findings with a proposed implementation of the hexagonal Kitaev model (Kitaev A 2006 Ann. Phys. 321 2). The effective (pseudo)spin interactions making up such quantum simulators are found to be proportional to the dipole–dipole interaction between the trapped ions, and are mediated by motion that can be driven by state-dependent forces. The precise forms of the trapping potentials and the interactions are derived in the presence of an SE and a cover electrode. These results are the starting point to derive an optimized SE geometry for trapping ions in the desired honeycomb lattice of Kitaev's model, where we design the dipole–dipole interactions in a way that allows for coupling all three bond types of the model simultaneously, without the need for time discretization. Finally, we propose a simple wire structure that can be incorporated into a microfabricated chip to generate localized state-dependent forces which drive the couplings prescribed by this particular model; such a wire structure should be adaptable to many other situations.

Crystals of trapped atomic ions are among the most promising platforms for the quantum simulation of many-body quantum physics. Here, we describe recent developments in the simulation of quantum magnetic spin models with trapped ¹⁷¹Yb⁺ ions, and discuss the possibility of scaling the system to a level of complexity where classical computation becomes intractable.

We numerically study the dynamics of cold atoms in a two-dimensional disordered potential. We consider an anisotropic speckle potential and focus on the classical dynamics, which is relevant to some recent experiments. Firstly, we study the behavior of particles with a fixed energy and identify different transport regimes. At low energy, the particles are classically localized due to the absence of a percolating cluster. At high energy, the particles undergo normal diffusion, and we show that the diffusion coefficients scale algebraically with the particle energy, with an anisotropy factor that is significantly different from that of the disordered potential. At intermediate energy, we find a transient sub-diffusive regime, which is relevant to the time scale of typical experiments. Secondly, we study the behavior of a cold atomic gas with an arbitrary energy distribution, using the above results as the groundwork. We show that the density profile of the atomic cloud in the diffusion regime is strongly peaked and, in particular, that it is not Gaussian. Its behavior at large distances allows us to extract the energy-dependent diffusion coefficients from experimental density distributions. For a thermal cloud released into the disordered potential, we show that our numerical predictions are in agreement with experimental findings. Not only does this paper give insights into recent experimental results, but it may also help in the interpretation of future experiments searching for deviation from classical diffusion and traces of Anderson localization.

Many-body physics is traditionally concerned with systems of interacting massive particles. Recent studies of effective interactions between photons, induced in the circuit quantum electrodynamics (QED) architecture by coupling the microwave field to superconducting qubits, have paved the way for photon-based many-body physics. We derive the magnitude and intrinsic signs of photon hopping amplitudes in such circuit QED arrays. For a finite, ring-shaped Jaynes–Cummings lattice exposed to a synthetic gauge field, we show that degeneracies in the single-excitation spectrum emerge, which can give rise to strong correlations for the interacting system with multiple excitations. We calculate the homodyne transmission for such a device, explain the generalization of vacuum Rabi splittings known for the single-site Jaynes–Cummings model and identify fingerprints of interactions beyond the linear response regime.

We consider the simulation of the Bardeen, Cooper and Schrieffer (BCS) Hamiltonian, a model of low-temperature superconductivity, on a quantum computer. In particular, we consider conducting the simulation on the qubus quantum computer, which uses a continuous variable ancilla to generate interactions between qubits. We demonstrate an O(N³) improvement over previous studies conducted on an NMR computer (Wu et al 2002 Phys. Rev. Lett. 89 057904 and Brown et al 2006 Phys. Rev. Lett. 97 050504) for the nearest-neighbour and completely general cases. We then proceed to show methods for minimizing the number of operations needed per time step using the qubus in three cases: the completely general case, the case of exponentially decaying interactions and the case of fixed range interactions. We make these results controlled on an ancilla qubit so that we can apply the phase estimation algorithm, and hence show that when N⩾5, our qubus simulation requires significantly fewer operations than a similar simulation conducted on an NMR computer.

We consider the quantum simulation of relativistic quantum mechanics, as described by the Dirac equation and classical potentials, in trapped-ion systems. We concentrate on three problems of growing complexity. Firstly, we study the bidimensional relativistic scattering of single Dirac particles by a linear potential. Secondly, we explore the case of a Dirac particle in a magnetic field and its topological properties. Finally, we analyze the problem of two Dirac particles that are coupled by a controllable and confining potential. The latter interaction may be useful to study important phenomena such as the confinement and asymptotic freedom of quarks.

We present a complete recipe to extract the density–density correlations and the static structure factor of a two-dimensional (2D) atomic quantum gas from in situ imaging. Using images of non-interacting thermal gases, we characterize and remove the systematic contributions of imaging aberrations to the measured density–density correlations of atomic samples. We determine the static structure factor and report the results on weakly interacting 2D Bose gases, as well as strongly interacting gases in a 2D optical lattice. In the strongly interacting regime, we observe a strong suppression of the static structure factor at long wavelengths.

We present the design, fabrication and experimental implementation of surface ion traps with Y-shaped junctions. The traps are designed to minimize the pseudopotential variations in the junction region at the symmetric intersection of three linear segments. We experimentally demonstrate robust linear and junction shuttling with greater than 10⁶ round-trip shuttles without ion loss. By minimizing the direct line of sight between trapped ions and dielectric surfaces, negligible day-to-day and trap-to-trap variations are observed. In addition to high-fidelity single-ion shuttling, multiple-ion chains survive splitting, ion-position swapping and recombining routines. The development of two-dimensional trapping structures is an important milestone for ion-trap quantum computing and quantum simulations.

We study the ground-state phases of the S=1/2 Heisenberg quantum antiferromagnet on the spatially anisotropic triangular lattice (SATL) and on the square lattice with up to next-next-nearest-neighbor coupling (the J₁J₂J₃ model), making use of Takahashi's modified spin-wave (MSW) theory supplemented by ordering vector optimization. We compare the MSW results with exact diagonalization and projected-entangled-pair-states calculations, demonstrating their qualitative and quantitative reliability. We find that the MSW theory correctly accounts for strong quantum effects on the ordering vector of the magnetic phases of the models under investigation: in particular, collinear magnetic order is promoted at the expense of non-collinear (spiral) order, and several spiral states that are stable at the classical level disappear from the quantum phase diagram. Moreover, collinear states and non-collinear ones are never connected continuously, but they are separated by parameter regions in which the MSW theory breaks down, signaling the possible appearance of a non-magnetic ground state. In the case of the SATL, a large breakdown region appears also for weak couplings between the chains composing the lattice, suggesting the possible occurrence of a large non-magnetic region continuously connected with the spin-liquid state of the uncoupled chains. This shows that the MSW theory is—despite its apparent simplicity—a versatile tool for finding candidate regions in the case of spin-liquid phases, which are among prime targets for relevant quantum simulations.

The Fermi two-atom problem illustrates an apparent causality violation in quantum field theory that has to do with the nature of the built-in correlations in the vacuum. It has been a constant subject of theoretical debate and discussion in the last few decades. Nevertheless, although the issues at hand could in principle be tested experimentally, the smallness of such apparent violations of causality in quantum electrodynamics have prevented the observation of the predicted effect. In this paper, we show that the problem can be simulated within the framework of discrete systems that can be manifested, for instance, by trapped atoms in optical lattices or trapped ions. Unlike the original continuum case, the causal structure is no longer sharp. Nevertheless, as we show, it is possible to distinguish between 'trivial' effects due to 'direct' causality violations and the effects associated with Fermi's problem, even in such discrete settings. The ability to control externally the strength of the atom–field interactions enables us also to study both the original Fermi problem with 'bare atoms' and correction in the scenario that involves 'dressed' atoms. Finally, we show that, in principle, the Fermi effect can be detected using trapped ions.

We study the non-equilibrium dynamics and equilibration in a dissipative quantum many-body system—a chain of ions with two points of the chain driven by a thermal bath under different temperatures. Instead of a simple linear temperature gradient (characterized by the local motional excitation) as one expects from a typical classical heat diffusion process, the temperature distribution in the ion chain shows surprisingly rich patterns, which depend on the rate of ion coupling to the bath, the location of driven ions and the dissipation rates of the other ions in the chain. By simulating the temperature evolution, we show that these unusual temperature distribution patterns in the ion chain can be quantitatively tested in experiments within a realistic time scale.

We present a detailed theoretical and conceptual study of a planned experiment to excite Rydberg states of ions trapped in a Paul trap. The ultimate goal is to exploit the strong state-dependent interactions between Rydberg ions to implement quantum information processing protocols and simulate the dynamics of strongly interacting spin systems. We highlight the promise of this approach when combining the high degree of control and readout of quantum states in trapped ion crystals with the novel and fast gate schemes based on interacting giant Rydberg atomic dipole moments. We discuss anticipated theoretical and experimental challenges on the way to its realization.

We discuss the recently developed bosonic dynamical mean-field theory (B-DMFT) framework, which maps a bosonic lattice model onto the self-consistent solution of a bosonic impurity model with coupling to a reservoir of normal and condensed bosons. The effective impurity action is derived in several ways: (i) as an approximation to the kinetic energy functional of the lattice problem, (ii) using a cavity approach and (iii) using an effective medium approach based on adding a one-loop correction to the self-consistently defined condensate. To solve the impurity problem, we use a continuous-time Monte Carlo algorithm based on the sampling of a perturbation expansion in the hybridization functions and the condensate wave function. As applications of the formalism, we present finite-temperature B-DMFT phase diagrams for the bosonic Hubbard model on a three-dimensional (3D) cubic and a 2D square lattice, the condensate order parameter as a function of chemical potential, critical exponents for the condensate, the approach to the weakly interacting Bose gas regime for weak repulsions and the kinetic energy as a function of temperature.

We show that a chain of trapped ions embedded in microtraps generated by an optical lattice can be used to study oscillator models related to dry friction and energy transport. Numerical calculations with realistic experimental parameters demonstrate that both static and dynamic properties of the ion chain change significantly as the optical lattice power is varied. Finally, we lay out an experimental scheme to use the spin degree of freedom to probe the phase space structure and quantum critical behavior of the ion chain.