Matthias Troyer

Continuous-Time Solver for Quantum Impurity Models

We present a new continuous-time solver for quantum impurity models such as those relevant to dynamical mean field theory. It is based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter. Comparisons with Monte Carlo and exact diagonalization calculations confirm the accuracy of the new approach, which allows very efficient simulations even at low temperatures and for strong interactions. As examples of the power of the method we present results for the temperature dependence of the kinetic energy and the free energy, enabling an accurate location of the temperature-driven metal-insulator transition.

Evidence for quantum annealing with more than one hundred qubits

Quantum annealing is expected to solve certain optimization problems more efficiently, but there are still open questions regarding the functioning of devices such as D-Wave One. A numerical and experimental investigation of its performance shows evidence for quantum annealing with 108 qubits.

The ALPS project release 2.0: open source software for strongly correlated systems

We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programmers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/.

Thermodynamics and spin gap of the Heisenberg ladder calculated by the look-ahead Lanczos algorithm

We have developed an improved version of the quantum transfer-matrix algorithm. The extreme eigenvalues and eigenvectors of the transfer matrix are calculated by the recently developed look-ahead Lanczos algorithm for non-Hermitian matrices with higher efficiency and accuracy than by the power method. We have applied this method to the antiferromagnetic Heisenberg ladder. The temperature dependence of the susceptibility, specific heat, correlation length, and nuclear spin relaxation rate 1/

Optimized parallel tempering simulations of proteins

{\mathit{T}}_{1}

Defining and detecting quantum speedup

are calculated. Our results support the existence of a spin gap of about 0.5J.

Solving the quantum many-body problem with artificial neural networks

We apply a recently developed adaptive algorithm that systematically improves the efficiency of parallel tempering or replica exchange methods in the numerical simulation of small proteins. Feedback iterations allow us to identify an optimal set of temperatures/replicas which are found to concentrate at the bottlenecks of the simulations. A measure of convergence for the equilibration of the parallel tempering algorithm is discussed. We test our algorithm by simulating the 36-residue villin headpiece subdomain HP-36 where we find a lowest-energy configuration with a root-mean-square deviation of less than 4 A to the experimentally determined structure.

Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations.

How to benchmark a quantum computer Quantum machines offer the possibility of performing certain computations much faster than their classical counterparts. However, how to define and measure quantum speedup is a topic of debate. Rønnow et al. describe methods for fairly evaluating the difference in computational power between classical and quantum processors. They define various types of quantum speedup and consider quantum processors that are designed to solve a specific class of problems. Science, this issue p. 420 What makes a quantum machine quantum? The development of small-scale quantum devices raises the question of how to fairly assess and detect quantum speedup. Here, we show how to define and measure quantum speedup and how to avoid pitfalls that might mask or fake such a speedup. We illustrate our discussion with data from tests run on a D-Wave Two device with up to 503 qubits. By using random spin glass instances as a benchmark, we found no evidence of quantum speedup when the entire data set is considered and obtained inconclusive results when comparing subsets of instances on an instance-by-instance basis. Our results do not rule out the possibility of speedup for other classes of problems and illustrate the subtle nature of the quantum speedup question.

Mott Domains of Bosons Confined on Optical Lattices

Machine learning and quantum physics Elucidating the behavior of quantum interacting systems of many particles remains one of the biggest challenges in physics. Traditional numerical methods often work well, but some of the most interesting problems leave them stumped. Carleo and Troyer harnessed the power of machine learning to develop a variational approach to the quantum many-body problem (see the Perspective by Hush). The method performed at least as well as state-of-the-art approaches, setting a benchmark for a prototypical two-dimensional problem. With further development, it may well prove a valuable piece in the quantum toolbox. Science, this issue p. 602; see also p. 580 A machine-learning approach sets a computational benchmark for a prototypical two-dimensional problem. The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the nontrivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that systematic machine learning of the wave function can reduce this complexity to a tractable computational form for some notable cases of physical interest. We introduce a variational representation of quantum states based on artificial neural networks with a variable number of hidden neurons. A reinforcement-learning scheme we demonstrate is capable of both finding the ground state and describing the unitary time evolution of complex interacting quantum systems. Our approach achieves high accuracy in describing prototypical interacting spins models in one and two dimensions.

Critical temperature and thermodynamics of attractive fermions at unitarity

We present an adaptive algorithm which optimizes the statistical-mechanical ensemble in a generalized broad-histogram Monte Carlo simulation to maximize the systems rate of round trips in total energy. The scaling of the mean round-trip time from the ground state to the maximum entropy state for this local-update method is found to be O ( [N ln N](2) ) for both the ferromagnetic and the fully frustrated two-dimensional Ising model with N spins. Our algorithm thereby substantially outperforms flat-histogram methods such as the Wang-Landau algorithm.