arXiv subjects

Matthias Troyer

Publications and source records attributed to Matthias Troyer.

At least 91 records · Page 5Linked to original sources

arXiv2016

Optimizing spin-orbit splittings in InSb Majorana nanowires

Semiconductor-superconductor heterostructures represent a promising platform for the detection of Majorana zero modes and subsequently the processing of quantum information using their exotic non-Abelian statistics. Theoretical modeling of such low-dimensional semiconductors is generally based on phenomenological effective models. However, a more microscopic understanding of their band structure and, especially, of the spin-orbit coupling of electrons in these devices is important for optimizing their parameters for applications in quantum computing. In this paper, we approach this problem by first obtaining a highly accurate effective tight-binding model from ab initio calculations in the bulk. This model is symmetrized and correctly reproduces both the band structure and the wavefunction character. It is then used to determine Dresselhaus and Rashba spin-orbit splittings induced by finite size effects and external electric field in zincblende InSb one- and two-dimensional nanostructures as a function of growth parameters. The method presented here enables reliable simulations of realistic devices, including those used to realize exotic topological states.

cond-mat.mtrl-sci↗

arXiv2016

Stochastic series expansion simulation of the $t$-$V$ model

We present an algorithm for the efficient simulation of the half-filled spinless $t$-$V$ model on bipartite lattices, which combines the stochastic series expansion method with determinantal quantum Monte Carlo techniques widely used in fermionic simulations. The algorithm scales linearly in the inverse temperature, cubically with the system size and is free from the time-discretization error. We use it to map out the finite temperature phase diagram of the spinless $t$-$V$ model on the honeycomb lattice and observe a suppression of the critical temperature of the charge density wave phase in the vicinity of a fermionic quantum critical point.

cond-mat.str-el↗

arXiv2016

Smooth gauge and Wannier functions for topological band structures in arbitrary dimensions

The construction of exponentially localized Wannier functions for a set of bands requires a choice of Bloch-like functions that span the space of the bands in question, and are smooth and periodic functions of k in the entire Brillouin zone. For bands with nontrivial topology, such smooth Bloch functions can only be chosen such that they do not respect the symmetries that protect the topology. This symmetry breaking is a necessary, but not sufficient condition for smoothness, and, in general, finding smooth Bloch functions for topological bands is a complicated task. We present a generic technique for finding smooth Bloch functions and constructing exponentially localized Wannier functions in the presence of nontrivial topology, given that the net Chern number of the bands in question vanishes. The technique is verified against known results in the Kane-Mele model. It is then applied to the topological insulator Bi2Se3, where the topological state is protected by two symmetries: time reversal and inversion. The resultant exponentially localized Wannier functions break both these symmetries. Finally, we illustrate how the calculation of the Chern-Simons orbital magnetoelectric response is facilitated by the proposed smooth gauge construction.

cond-mat.mes-hall↗

arXiv2015

Partial Reinitialisation for Optimisers

Heuristic optimisers which search for an optimal configuration of variables relative to an objective function often get stuck in local optima where the algorithm is unable to find further improvement. The standard approach to circumvent this problem involves periodically restarting the algorithm from random initial configurations when no further improvement can be found. We propose a method of partial reinitialization, whereby, in an attempt to find a better solution, only sub-sets of variables are re-initialised rather than the whole configuration. Much of the information gained from previous runs is hence retained. This leads to significant improvements in the quality of the solution found in a given time for a variety of optimisation problems in machine learning.

stat.ML↗

arXiv2015

Type-II Weyl Semimetals

Fermions in nature come in several types: Dirac, Majorana and Weyl are theoretically thought to form a complete list. Even though Majorana and Weyl fermions have for decades remained experimentally elusive, condensed matter has recently emerged as fertile ground for their discovery as low energy excitations of realistic materials. Here we show the existence of yet another particle - a new type of Weyl fermion - that emerges at the boundary between electron and hole pockets in a new type of Weyl semimetal phase of matter. This fermion was missed by Weyl in 1929 due to its breaking of the stringent Lorentz symmetry of high-energy physics. Lorentz invariance however is not present in condensed matter physics, and we predict that an established material, WTe$_2$, is an example of this novel type of topological semimetal hosting the new particle as a low energy excitation around a type-2 Weyl node. This node, although still a protected crossing, has an open, finite-density of states Fermi surface, likely resulting in a plethora physical properties very different from those of standard point-like Fermi surface Weyl points.

cond-mat.mes-hall↗

arXiv2015

Pair Correlations in Doped Hubbard Ladders

Hubbard ladders are an important stepping stone to the physics of the two-dimensional Hubbard model. While many of their properties are accessible to numerical and analytical techniques, the question of whether weakly hole-doped Hubbard ladders are dominated by superconducting or charge-density-wave correlations has so far eluded a definitive answer. In particular, previous numerical simulations of Hubbard ladders have seen a much faster decay of superconducting correlations than expected based on analytical arguments. We revisit this question using a state-of-the-art implementation of the density matrix renormalization group algorithm that allows us to simulate larger system sizes with higher accuracy than before. Performing careful extrapolations of the results, we obtain improved estimates for the Luttinger liquid parameter and the correlation functions at long distances. Our results confirm that, as suggested by analytical considerations, superconducting correlations become dominant in the limit of very small doping.

cond-mat.str-el↗

arXiv2015

Probing for quantum speedup in spin glass problems with planted solutions

The availability of quantum annealing devices with hundreds of qubits has made the experimental demonstration of a quantum speedup for optimization problems a coveted, albeit elusive goal. Going beyond earlier studies of random Ising problems, here we introduce a method to construct a set of frustrated Ising-model optimization problems with tunable hardness. We study the performance of a D-Wave Two device (DW2) with up to 503 qubits on these problems and compare it to a suite of classical algorithms, including a highly optimized algorithm designed to compete directly with the DW2. The problems are generated around predetermined ground-state configurations, called planted solutions, which makes them particularly suitable for benchmarking purposes. The problem set exhibits properties familiar from constraint satisfaction (SAT) problems, such as a peak in the typical hardness of the problems, determined by a tunable clause density parameter. We bound the hardness regime where the DW2 device either does not or might exhibit a quantum speedup for our problem set. While we do not find evidence for a speedup for the hardest and most frustrated problems in our problem set, we cannot rule out that a speedup might exist for some of the easier, less frustrated problems. Our empirical findings pertain to the specific D-Wave processor and problem set we studied and leave open the possibility that future processors might exhibit a quantum speedup on the same problem set.

quant-ph↗

arXiv2015

Understanding Quantum Tunneling through Quantum Monte Carlo Simulations

The tunneling between the two ground states of an Ising ferromagnet is a typical example of many-body tunneling processes between two local minima, as they occur during quantum annealing. Performing quantum Monte Carlo (QMC) simulations we find that the QMC tunneling rate displays the same scaling with system size, as the rate of incoherent tunneling. The scaling in both cases is $O(Δ^2)$, where $Δ$ is the tunneling splitting. An important consequence is that QMC simulations can be used to predict the performance of a quantum annealer for tunneling through a barrier. Furthermore, by using open instead of periodic boundary conditions in imaginary time, equivalent to a projector QMC algorithm, we obtain a quadratic speedup for QMC, and achieve linear scaling in $Δ$. We provide a physical understanding of these results and their range of applicability based on an instanton picture.

quant-ph↗

arXiv2015

Split orthogonal group: A guiding principle for sign-problem-free fermionic simulations

We present a guiding principle for designing fermionic Hamiltonians and quantum Monte Carlo (QMC) methods that are free from the infamous sign problem by exploiting the Lie groups and Lie algebras that appear naturally in the Monte Carlo weight of fermionic QMC simulations. Specifically, rigorous mathematical constraints on the determinants involving matrices that lie in the split orthogonal group provide a guideline for sign-free simulations of fermionic models on bipartite lattices. This guiding principle not only unifies the recent solutions of the sign problem based on the continuous-time quantum Monte Carlo methods and the Majorana representation, but also suggests new efficient algorithms to simulate physical systems that were previously prohibitive because of the sign problem.

cond-mat.str-el↗

arXiv2015

Phase diagram of pyrochlore iridates: all-in-all-out magnetic ordering and non-Fermi liquid properties

We study the prototype 5d pyrochlore iridate Y2Ir2O7 from first principles using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, onsite Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in-all-out ordered insulating phase is stable for realistic values of U. The trigonal crystal field enhances the magnetic moments of the jeff=1/2 doublet, and strong inter-band correlations are induced by the Coulomb interaction, which indicates that a three-band description is important. We demonstrate a substantial band narrowing in the paramagnetic metallic phase and non-Fermi liquid behavior in the electron/hole doped system originating from long-lived quasi-spin moments induced by nearly flat bands.

cond-mat.str-el↗

arXiv2015

An Efficient Matrix Product Operator Representation of the Quantum-Chemical Hamiltonian

We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a purely matrix product based framework. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from a viewpoint of Hilbert space decimation and attained a higher performance compared to straightforward implementations of matrix product based DMRG. The latter variationally optimizes a class of ansatz states known as matrix product states (MPS), where operators are correspondingly represented as matrix product operators (MPO). The MPO construction scheme presented here eliminates the previous performance disadvantages while retaining the additional flexibility provided by a matrix product approach; for example, the specification of expectation values becomes an input parameter. In this way, MPOs for different symmetries - abelian and non-abelian - and different relativistic and non-relativistic models may be solved by an otherwise unmodified program.

physics.comp-ph↗

arXiv2015

Thermodynamics of the Hubbard model on stacked honeycomb and square lattices

We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling.

cond-mat.quant-gas↗

arXiv2015

Solving strongly correlated electron models on a quantum computer

One of the main applications of future quantum computers will be the simulation of quantum models. While the evolution of a quantum state under a Hamiltonian is straightforward (if sometimes expensive), using quantum computers to determine the ground state phase diagram of a quantum model and the properties of its phases is more involved. Using the Hubbard model as a prototypical example, we here show all the steps necessary to determine its phase diagram and ground state properties on a quantum computer. In particular, we discuss strategies for efficiently determining and preparing the ground state of the Hubbard model starting from various mean-field states with broken symmetry. We present an efficient procedure to prepare arbitrary Slater determinants as initial states and present the complete set of quantum circuits needed to evolve from these to the ground state of the Hubbard model. We show that, using efficient nesting of the various terms each time step in the evolution can be performed with just $\mathcal{O}(N)$ gates and $\mathcal{O}(\log N)$ circuit depth. We give explicit circuits to measure arbitrary local observables and static and dynamic correlation functions, both in the time and frequency domain. We further present efficient non-destructive approaches to measurement that avoid the need to re-prepare the ground state after each measurement and that quadratically reduce the measurement error.

quant-ph↗

arXiv2015

Negative sign problem in continuous-time quantum Monte Carlo: optimal choice of single-particle basis for impurity problems

The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign problem on the single-particle basis. We explore both the hybridization-expansion and the interaction-expansion variants of continuous-time QMC for three-site and four-site impurity models with baths that are diagonal in the orbital degrees of freedom. We find that the sign problem in these models can be substantially reduced by using a non-trivial single-particle basis. Such bases can be generated by diagonalizing a subset of the intracluster hoppings.

cond-mat.str-el↗

arXiv2015

Effective models of doped quantum ladders of non-Abelian anyons

Quantum spin models have been studied extensively in one and higher dimensions. Furthermore, these systems have been doped with holes to study $t$--$J$ models of $SU(2)$ spin-1/2. Their anyonic counterparts can be built from non-Abelian anyons, such as Fibonacci anyons described by $SU(2)_3$ theories, which are quantum deformations of the $SU(2)$ algebra. Inspired by the physics of $SU(2)$ spins, several works have explored ladders of Fibonacci anyons and also one-dimensional (1D) $t$--$J$ models. Here we aim to explore the combined effects of extended dimensionality and doping by studying ladders composed of coupled chains of interacting itinerant Fibonacci anyons. We show analytically that in the limit of strong rung couplings these models can be mapped onto effective 1D models. These effective models can either be gapped models of hole pairs, or gapless models described by $t$--$J$ (or modified $t$--$J$--$V$) chains of Fibonacci anyons, whose spectrum exhibits a fractionalization into charge and anyon degrees of freedom. By using exact diagonalizations for two-leg and three-leg ladders, we show that indeed the doped ladders show exactly the same behavior as that of $t$--$J$ chains. In the strong ferromagnetic rung limit, we can obtain a new model that hosts two different kinds of Fibonacci particles - which we denote as the heavy $τ$'s and light $τ$'s. These two particle types carry the same (non-Abelian) topological charge but different (Abelian) electric charges. Once again, we map the two-dimensional ladder onto an effective chain carrying these heavy and light $τ$'s. We perform a finite size scaling analysis to show the appearance of gapless modes for certain anyon densities whereas a topological gapped phase is suggested for another density regime.

cond-mat.str-el↗

arXiv2015

Fate of the Kondo Effect and Impurity Quantum Phase Transitions Through the Lens of Fidelity Susceptibility

The Kondo effect is an ubiquitous phenomenon appearing at low temperature in quantum confined systems coupled to a continuous bath. Efforts in understanding and controlling it have triggered important developments across several disciplines of condensed matter physics. A recurring pattern in these studies is that the suppression of the Kondo effect often results in intriguing physical phenomena such as impurity quantum phase transitions or non-Fermi-liquid behavior. We show that the fidelity susceptibility is a sensitive indicator for such phenomena because it quantifies the sensitivity of the system's state with respect to its coupling to the bath. We demonstrate the power of fidelity susceptibility approach by using it to identify the crossover and quantum phase transitions in the one and two impurity Anderson models.

cond-mat.str-el↗

arXiv2015

Efficient continuous-time quantum Monte Carlo algorithm for fermionic lattice models

Efficient continuous time quantum Monte Carlo (CT-QMC) algorithms that do not suffer from time discretization errors have become the state-of-the-art for most discrete quantum models. They have not been widely used yet for fermionic quantum lattice models, such as the Hubbard model, due to a suboptimal scaling of $O(β^3)$ with inverse temperature $β$, compared to the linear scaling of discrete time algorithms. Here we present a CT-QMC algorithms for fermionic lattice models that matches the scaling of discrete-time methods but is more efficient and free of time discretization errors. This provides an efficient simulation scheme that is free from the systematic errors opening an avenue to more precise studies of large systems at low temperatures.

cond-mat.str-el↗

arXiv2015

Heavy tails in the distribution of time-to-solution for classical and quantum annealing

For many optimization algorithms the time-to-solution depends not only on the problem size but also on the specific problem instance and may vary by many orders of magnitude. It is then necessary to investigate the full distribution and especially its tail. Here we analyze the distributions of annealing times for simulated annealing and simulated quantum annealing (by path integral quantum Monte Carlo) for random Ising spin glass instances. We find power-law distributions with very heavy tails, corresponding to extremely hard instances, but far broader distributions - and thus worse performance for hard instances - for simulated quantum annealing than for simulated annealing. Fast, non-adiabatic, annealing schedules can improve the performance of simulated quantum annealing for very hard instances by many orders of magnitude.

quant-ph↗