# Peter Love - University of Lancaster

## Contact Details

NamePeter Love |
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AffiliationUniversity of Lancaster |
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CityBailrigg |
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CountryUnited Kingdom |
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## Pubs By Year |
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## Pub CategoriesQuantum Physics (26) Physics - Chemical Physics (7) Physics - Soft Condensed Matter (5) Physics - Statistical Mechanics (4) Nonlinear Sciences - Cellular Automata and Lattice Gases (3) Mathematics - Mathematical Physics (3) Mathematical Physics (3) High Energy Physics - Theory (2) Physics - Fluid Dynamics (2) Physics - Mesoscopic Systems and Quantum Hall Effect (2) Physics - Superconductivity (1) Computer Science - Distributed; Parallel; and Cluster Computing (1) Computer Science - Computational Complexity (1) Mathematics - Functional Analysis (1) Mathematics - Representation Theory (1) Physics - Biological Physics (1) Physics - Other (1) |

## Publications Authored By Peter Love

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectations values with a classical optimization routine in order to approximate ground state energies of quantum systems. In this paper, we study the application of VQE to the simulation of molecular energies using the unitary coupled cluster (UCC) ansatz. We introduce new strategies to reduce the circuit depth for the implementation of UCC and improve the optimization of the wavefunction based on efficient classical approximations of the cluster amplitudes. Read More

We give a path integral formulation of the time evolution of qudits of odd dimension. This allows us to consider semiclassical evolution of discrete systems in terms of an expansion of the propagator in powers of $\hbar$. The largest power of $\hbar$ required to describe the evolution is a traditional measure of classicality. Read More

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision, an exponential improvement over all prior methods. The two algorithms developed in this work rely on a second quantized encoding of the wavefunction in which the state of an $N$ spin-orbital system is encoded in ${\cal O}(N)$ qubits. Read More

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in the first paper of this series (arXiv:1506.01020), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. Read More

We give an efficient quantum algorithm for the Moebius function $\mu(n)$ from the natural numbers to $\{-1,0,1\}$. The cost of the algorithm is asymptotically quadratic in $\log n$ and does not require the computation of the prime factorization of $n$ as an intermediate step. Read More

Accurate prediction of chemical and material properties from first principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route towards highly accurate solutions with polynomial cost, however this solution still carries a large overhead. In this perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. Read More

Quantum Random Walks (QRW) were first defined as one-particle sectors of Quantum Lattice Gas Automata (QLGA). Recently, they have been generalized to include history dependence, either on previous coin (internal, i.e. Read More

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure Hamiltonian - necessitating qubit requirements that scale linearly with the number of orbitals. The scaling of the number of gates for such methods, while polynomial, presents some serious experimental challenges. Read More

We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-local qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-local, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Read More

We generalize the notion of the best separable approximation (BSA) and best W-class approximation (BWA) to arbitrary pure state entanglement measures, defining the best zero-$E$ approximation (BEA). We show that for any polynomial entanglement measure $E$, any mixed state $\rho$ admits at least one "$S$-decomposition," i.e. Read More

Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain operators is one such intractable problem and remains a fundamental challenge. The quantum phase estimation algorithm can efficiently find the eigenvalue of a given eigenvector but requires fully coherent evolution. Read More

Quantum cellular automata (QCA) are models of quantum computation of particular interest from the point of view of quantum simulation. Quantum lattice gas automata (QLGA - equivalently partitioned quantum cellular automata) represent an interesting subclass of QCA. QLGA have been more deeply analyzed than QCA, whereas general QCA are likely to capture a wider range of quantum behavior. Read More

Quantum simulation is an important application of future quantum computers with applications in quantum chemistry, condensed matter, and beyond. Quantum simulation of fermionic systems presents a specific challenge. The Jordan-Wigner transformation allows for representation of a fermionic operator by O(n) qubit operations. Read More

We apply the Chapman-Enskog procedure to derive hydrodynamic equations on an arbitrary surface from the Boltzmann equation on the surface. Read More

A discussion of the prospects for quantum computation for quantum chemistry from the point of view of the history of classical calculations of electronic structure. Read More

In quantum chemistry, the price paid by all known efficient model chemistries is either the truncation of the Hilbert space or uncontrolled approximations. Theoretical computer science suggests that these restrictions are not mere shortcomings of the algorithm designers and programmers but could stem from the inherent difficulty of simulating quantum systems. Extensions of computer science and information processing exploiting quantum mechanics has led to new ways of understanding the ultimate limitations of computational power. Read More

We investigate the evolution of entanglement in the Fenna-Matthew-Olson (FMO) complex based on simulations using the scaled hierarchy equation of motion (HEOM) approach. We examine the role of multipartite entanglement in the FMO complex by direct computation of the convex roof optimization for a number of measures, including some that have not been previously evaluated. We also consider the role of monogamy of entanglement in these simulations. Read More

We present a hydrodynamic lattice gas model for two-dimensional flows on curved surfaces with dynamical geometry. This model is an extension to two dimensions of the dynamical geometry lattice gas model previously studied in one-dimension. We expand upon a variation of the two-dimensional flat space FHP model created by Frisch, Hasslacher and Pomeau, and independently by Wolfram, and modified by Boghosian, Love, and Meyer. Read More

We show that finding the lowest eigenvalue of a 3-local symmetric stochastic matrix is QMA-complete. We also show that finding the highest energy of a stoquastic Hamiltonian is QMA-complete and that adiabatic quantum computation using certain excited states of a stoquastic Hamiltonian is universal. We also show that adiabatic evolution in the ground state of a stochastic frustration free Hamiltonian is universal. Read More

The work presented here extends upon the best known universal quantum circuit, the Quantum Shannon Decomposition proposed in [Vivek V. Shende, Stephen S. Bullock and Igor Markov, Synthesis of Quantum Logic Circuits, IEEE Trans. Read More

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Read More

It has been established that local lattice spin Hamiltonians can be used for universal adiabatic quantum computation. However, the 2-local model Hamiltonians used in these proofs are general and hence do not limit the types of interactions required between spins. To address this concern, the present paper provides two simple model Hamiltonians that are of practical interest to experimentalists working towards the realization of a universal adiabatic quantum computer. Read More

We study the effect of a thermal environment on adiabatic quantum computation using the Bloch-Redfield formalism. We show that in certain cases the environment can enhance the performance in two different ways: (i) by introducing a time scale for thermal mixing near the anticrossing that is smaller than the adiabatic time scale, and (ii) by relaxation after the anticrossing. The former can enhance the scaling of computation when the environment is superohmic, while the latter can only provide a prefactor enhancement. Read More

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical interest using modest numbers of quantum bits. Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm. Read More

We define a set of $2^{n-1}-1$ entanglement monotones for $n$ qubits and give a single measure of entanglement in terms of these. This measure is zero except on globally entangled (fully inseparable) states. This measure is compared to the Meyer-Wallach measure for two, three, and four qubits. Read More

We present the first experimental results on a device with more than two superconducting qubits. The circuit consists of four three-junction flux qubits, with simultaneous ferro- and antiferromagnetic coupling implemented using shared Josephson junctions. Its response, which is dominated by the ground state, is characterized using low-frequency impedance measurement with a superconducting tank circuit coupled to the qubits. Read More

We describe a model for the interaction of the internal (spin) degree of freedom of a quantum lattice-gas particle with an environmental bath. We impose the constraints that the particle-bath interaction be fixed, while the state of the bath is random, and that the effect of the particle-bath interaction be parity invariant. The condition of parity invariance defines a subgroup of the unitary group of actions on the spin degree of freedom and the bath. Read More

We present numerical results obtained using a lattice-gas model with dynamical geometry defined by Hasslacher and Meyer (Int. J. Mod. Read More

We review and analyze the hybrid quantum-classical NMR computing methodology referred to as Type-II quantum computing. We show that all such algorithms considered so far within this paradigm are equivalent to some classical lattice-Boltzmann scheme. We derive a sufficient and necessary constraint on the unitary operator representing the quantum mechanical part of the computation which ensures that the model reproduces the Boltzmann approximation of a lattice-gas model satisfying semi-detailed balance. Read More

**Authors:**G. E. Graham

^{1}, M. Anzar Afaq

^{2}, David Evans

^{3}, Gerald Guglielmo

^{4}, Eric Wicklund

^{5}, Peter Love

^{6}

**Affiliations:**

^{1}Fermi National Accelerator Laboratory,

^{2}Fermi National Accelerator Laboratory,

^{3}Fermi National Accelerator Laboratory,

^{4}Fermi National Accelerator Laboratory,

^{5}Fermi National Accelerator Laboratory,

^{6}University of Lancaster

This paper introduces a new mechanism for specifying constraints in distributed workflows. By introducing constraints in a contextual form, it is shown how different people and groups within collaborative communities can cooperatively constrain workflows. A comparison with existing state-of-the-art workflow systems is made. Read More

In this work we introduce a completely general Chapman Enskog procedure in which we divide the local distribution into an isotropic distribution with anisotropic corrections. We obtain a recursion relation on all integrals of the distribution function required in the derivation of the moment equations. We obtain the hydrodynamic equations in terms only of the first few moments of the isotropic part of an arbitrary local distribution function. Read More

We demonstrate that the requirement of galilean invariance determines the choice of H function for a wide class of entropic lattice Boltzmann models for the incompressible Navier-Stokes equations. The required H function has the form of the Burg entropy for D=2, and of a Tsallis entropy with q=1-2/D for D>2, where D is the number of spatial dimensions. We use this observation to construct a fully explicit, unconditionally stable, galilean invariant, lattice-Boltzmann model for the incompressible Navier-Stokes equations, for which attainable Reynolds number is limited only by grid resolution. Read More

In the 1920's, Madelung noticed that if the complex Schroedinger wavefunction is expressed in polar form, then its modulus squared and the gradient of its phase may be interpreted as the hydrodynamic density and velocity, respectively, of a compressible fluid. In this paper, we generalize Madelung's transformation to the quaternionic Schroedinger equation. The non-abelian nature of the full SU(2) gauge group of this equation leads to a richer, more intricate set of fluid equations than those arising from complex quantum mechanics. Read More

We simulate the dynamics of phase assembly in binary immiscible fluids and ternary microemulsions using a three-dimensional hydrodynamic lattice gas approach. For critical spinodal decomposition we perform the scaling analysis in reduced variables introduced by Jury et al. and Kendon et al. Read More

We report the results of a study of multiphase flow in porous media. A Darcy's law for steady multiphase flow was investigated for both binary and ternary amphiphilic flow. Linear flux-forcing relationships satisfying Onsager reciprocity were shown to be a good approximation of the simulation data. Read More

We show that the flux-field expansion derived by Boghosian and Coveney for the Rothman-Keller immiscible fluid model can be derived in a simpler and more general way in terms of the completely symmetric tensor kernels introduced by those authors. Using this generalised flux-field expansion we show that the more complex amphiphilic model of Boghosian Coveney and Emerton can also be derived from an underlying model of particle interactions. The consequences of this derivation are discussed in the context of previous equilibrium Ising-like lattice models and other non-equilibrium mesoscale models. Read More

We describe a three-dimensional hydrodynamic lattice-gas model of amphiphilic fluids. This model of the non-equilibrium properties of oil-water-surfactant systems, which is a non-trivial extension of an earlier two-dimensional realisation due to Boghosian, Coveney and Emerton [Boghosian, Coveney, and Emerton 1996, Proc. Roy. Read More