*Nat Commun ; 13(1): 2495, 2022 May 06.*

##### RESUMO

From the perspective of many-body physics, the transmon qubit architectures currently developed for quantum computing are systems of coupled nonlinear quantum resonators. A certain amount of intentional frequency detuning ('disorder') is crucially required to protect individual qubit states against the destabilizing effects of nonlinear resonator coupling. Here we investigate the stability of this variant of a many-body localized phase for system parameters relevant to current quantum processors developed by the IBM, Delft, and Google consortia, considering the cases of natural or engineered disorder. Applying three independent diagnostics of localization theory - a Kullback-Leibler analysis of spectral statistics, statistics of many-body wave functions (inverse participation ratios), and a Walsh transform of the many-body spectrum - we find that some of these computing platforms are dangerously close to a phase of uncontrollable chaotic fluctuations.

*Phys Rev Lett ; 128(8): 080505, 2022 Feb 25.*

##### RESUMO

With the advent of noisy intermediate-scale quantum (NISQ) devices, practical quantum computing has seemingly come into reach. However, to go beyond proof-of-principle calculations, the current processing architectures will need to scale up to larger quantum circuits which will require fast and scalable algorithms for quantum error correction. Here, we present a neural network based decoder that, for a family of stabilizer codes subject to depolarizing noise and syndrome measurement errors, is scalable to tens of thousands of qubits (in contrast to other recent machine learning inspired decoders) and exhibits faster decoding times than the state-of-the-art union find decoder for a wide range of error rates (down to 1%). The key innovation is to autodecode error syndromes on small scales by shifting a preprocessing window over the underlying code, akin to a convolutional neural network in pattern recognition approaches. We show that such a preprocessing step allows to effectively reduce the error rate by up to 2 orders of magnitude in practical applications and, by detecting correlation effects, shifts the actual error threshold up to fifteen percent higher than the threshold of conventional error correction algorithms such as union find or minimum weight perfect matching, even in the presence of measurement errors. An in situ implementation of such a machine learning-assisted quantum error correction will be a decisive step to push the entanglement frontier beyond the NISQ horizon.

##### Assuntos

Metodologias Computacionais , Teoria Quântica , Algoritmos , Aprendizado de Máquina , Redes Neurais de Computação*Phys Rev Lett ; 127(4): 046601, 2021 Jul 23.*

##### RESUMO

Non-Fermi liquid physics is ubiquitous in strongly correlated metals, manifesting itself in anomalous transport properties, such as a T-linear resistivity in experiments. However, its theoretical understanding in terms of microscopic models is lacking, despite decades of conceptual work and attempted numerical simulations. Here we demonstrate that a combination of sign-problem-free quantum Monte Carlo sampling and quantum loop topography, a physics-inspired machine-learning approach, can map out the emergence of non-Fermi liquid physics in the vicinity of a quantum critical point (QCP) with little prior knowledge. Using only three parameter points for training the underlying neural network, we are able to robustly identify a stable non-Fermi liquid regime tracing the fans of metallic QCPs at the onset of both spin-density wave and nematic order. In particular, we establish for the first time that a spin-density wave QCP commands a wide fan of non-Fermi liquid region that funnels into the quantum critical point. Our study thereby provides an important proof-of-principle example that new physics can be detected via unbiased machine-learning approaches.

*Nat Commun ; 12(1): 5644, 2021 Sep 24.*

##### RESUMO

Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena such as superconductivity or correlated insulating states. Here, we use an ab initio based approach to characterize the electronic properties of twisted bilayer MoS2. We report that, in marked contrast to twisted bilayer graphene, slightly hole-doped MoS2 realizes a strongly asymmetric px-py Hubbard model on the honeycomb lattice, with two almost entirely dispersionless bands emerging due to destructive interference. The origin of these dispersionless bands, is similar to that of the flat bands in the prototypical Lieb or Kagome lattices and co-exists with the general band flattening at small twist angle due to the moiré interference. We study the collective behavior of twisted bilayer MoS2 in the presence of interactions, and characterize an array of different magnetic and orbitally-ordered correlated phases, which may be susceptible to quantum fluctuations giving rise to exotic, purely quantum, states of matter.

*Nat Commun ; 10(1): 530, 2019 01 31.*

##### RESUMO

In the field of quantum magnetism, the exactly solvable Kitaev honeycomb model serves as a paradigm for the fractionalization of spin degrees of freedom and the formation of [Formula: see text] quantum spin liquids. An intense experimental search has led to the discovery of a number of spin-orbit entangled Mott insulators that realize its characteristic bond-directional interactions and, in the presence of magnetic fields, exhibit no indications of long-range order. Here, we map out the complete phase diagram of the Kitaev model in tilted magnetic fields and report the emergence of a distinct gapless quantum spin liquid at intermediate field strengths. Analyzing a number of static, dynamical, and finite temperature quantities using numerical exact diagonalization techniques, we find strong evidence that this phase exhibits gapless fermions coupled to a massless U(1) gauge field. We discuss its stability in the presence of perturbations that naturally arise in spin-orbit entangled candidate materials.

*Photosynth Res ; 137(3): 341-359, 2018 Sep.*

##### RESUMO

The life and work of Achim Trebst (1929-2017) was dedicated to photosynthesis, involving a wide span of seminal contributions which cumulated in more than five decades of active research: Major topics include the separation of light and dark phases in photosynthesis, the elucidation of photosynthesis by the use of inhibitors, the identification of the three-dimensional structure of photosystem II and its degradation, and an explanation of singlet oxygen formation. For this tribute, which has been initiated by Govindjee, twenty-two personal tributes by former coworkers, scientific friends, and his family have been compiled and combined with an introduction tracing the different stages of Achim Trebst's scientific life.

##### Assuntos

Fotossíntese , Transporte de Elétrons , História do Século XX , História do Século XXI , Modelos Biológicos*Phys Rev Lett ; 120(5): 057201, 2018 Feb 02.*

##### RESUMO

Motivated by the recent synthesis of the spin-1 A-site spinel NiRh_{2}O_{4}, we investigate the classical to quantum crossover of a frustrated J_{1}-J_{2} Heisenberg model on the diamond lattice upon varying the spin length S. Applying a recently developed pseudospin functional renormalization group approach for arbitrary spin-S magnets, we find that systems with S≥3/2 reside in the classical regime, where the low-temperature physics is dominated by the formation of coplanar spirals and a thermal (order-by-disorder) transition. For smaller local moments S=1 or S=1/2, we find that the system evades a thermal ordering transition and forms a quantum spiral spin liquid where the fluctuations are restricted to characteristic momentum-space surfaces. For the tetragonal phase of NiRh_{2}O_{4}, a modified J_{1}-J_{2}^{-}-J_{2}^{â¥} exchange model is found to favor a conventionally ordered Néel state (for arbitrary spin S), even in the presence of a strong local single-ion spin anisotropy, and it requires additional sources of frustration to explain the experimentally observed absence of a thermal ordering transition.

*Sci Rep ; 7(1): 8823, 2017 08 18.*

##### RESUMO

State-of-the-art machine learning techniques promise to become a powerful tool in statistical mechanics via their capacity to distinguish different phases of matter in an automated way. Here we demonstrate that convolutional neural networks (CNN) can be optimized for quantum many-fermion systems such that they correctly identify and locate quantum phase transitions in such systems. Using auxiliary-field quantum Monte Carlo (QMC) simulations to sample the many-fermion system, we show that the Green's function holds sufficient information to allow for the distinction of different fermionic phases via a CNN. We demonstrate that this QMC + machine learning approach works even for systems exhibiting a severe fermion sign problem where conventional approaches to extract information from the Green's function, e.g. in the form of equal-time correlation functions, fail.

*Phys Rev Lett ; 117(9): 097002, 2016 Aug 26.*

##### RESUMO

We study the onset of spin-density wave order in itinerant electron systems via a two-dimensional lattice model amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase diagram of the model reveals a dome-shaped d-wave superconducting phase near the magnetic quantum phase transition. Above the critical superconducting temperature, an extended fluctuation regime manifests itself in the opening of a gap in the electronic density of states and an enhanced diamagnetic response. While charge density wave fluctuations are moderately enhanced in the proximity of the magnetic quantum phase transition, they remain short ranged. The striking similarity of our results to the phenomenology of many unconventional superconductors points a way to a microscopic understanding of such strongly coupled systems in a controlled manner.

*Phys Rev E ; 94(6-1): 063306, 2016 Dec.*

##### RESUMO

In the absence of a fermion sign problem, auxiliary-field (or determinantal) quantum Monte Carlo (DQMC) approaches have long been the numerical method of choice for unbiased, large-scale simulations of interacting many-fermion systems. More recently, the conceptual scope of this approach has been expanded by introducing ingenious schemes to compute entanglement entropies within its framework. On a practical level, these approaches, however, suffer from a variety of numerical instabilities that have largely impeded their applicability. Here we report on a number of algorithmic advances to overcome many of these numerical instabilities and significantly improve the calculation of entanglement measures in the zero-temperature projective DQMC approach, ultimately allowing us to reach similar system sizes as for the computation of conventional observables. We demonstrate the applicability of this improved DQMC approach by providing an entanglement perspective on the quantum phase transition from a magnetically ordered Mott insulator to a band insulator in the bilayer square lattice Hubbard model at half filling.

*Phys Rev Lett ; 115(17): 177205, 2015 Oct 23.*

##### RESUMO

Three-dimensional (3D) variants of the Kitaev model can harbor gapless spin liquids with a Majorana Fermi surface on certain tricoordinated lattice structures such as the recently introduced hyperoctagon lattice. Here, we investigate Fermi surface instabilities arising from additional spin exchange terms (such as a Heisenberg coupling) which introduce interactions between the emergent Majorana fermion degrees of freedom. We show that independent of the sign and structure of the interactions, the Majorana surface is always unstable. Generically, the system spontaneously doubles its unit cell at exponentially small temperatures and forms a spin liquid with line nodes. Depending on the microscopics, further symmetries of the system can be broken at this transition. These spin-Peierls instabilities of a 3D spin liquid are closely related to BCS instabilities of fermions.

*Phys Rev Lett ; 105(14): 146402, 2010 Oct 01.*

##### RESUMO

Orbital degrees of freedom shape many of the properties of a wide class of Mott insulating, transition metal oxides with partially filled 3d shells. Here we study orbital ordering transitions in systems where a single electron occupies the e(g) orbital doublet and the spatially highly anisotropic orbital interactions can be captured by an orbital-only model, often called the 120° model. Our analysis of both the classical and quantum limits of this model in an extended parameter space shows that the 120° model is in close proximity to several T=0 phase transitions and various competing ordered phases. We characterize the orbital order of these nearby phases and their associated thermal phase transitions by extensive numerical simulations and perturbative arguments.

*Phys Rev Lett ; 103(7): 070401, 2009 Aug 14.*

##### RESUMO

Quantum mechanical systems, whose degrees of freedom are so-called su(2)k anyons, form a bridge between ordinary SU(2) quantum magnets (of arbitrary spin-S) and systems of interacting non-Abelian anyons. Anyonic spin-1/2 chains exhibit a topological protection mechanism that stabilizes their gapless ground states and which vanishes only in the limit (k-->infinity) of the ordinary spin-1/2 Heisenberg chain. For anyonic spin-1 chains the phase diagram closely mirrors the one of the biquadratic SU(2) spin-1 chain. Our results describe, at the same time, nucleation of different 2D topological quantum fluids within a "parent" non-Abelian quantum Hall state, arising from a macroscopic occupation with localized, interacting anyons. The edge states between the "nucleated" and the parent liquids are neutral, and correspond precisely to the gapless modes of the anyonic chains.

*Phys Rev Lett ; 101(23): 230401, 2008 Dec 05.*

##### RESUMO

Two-dimensional quantum loop gases are elementary examples of topological ground states with Abelian or non-Abelian anyonic excitations. While Abelian loop gases appear as ground states of local, gapped Hamiltonians such as the toric code, we show that gapped non-Abelian loop gases require nonlocal interactions (or nontrivial inner products). Perturbing a local, gapless Hamiltonian with an anticipated "non-Abelian" ground-state wave function immediately drives the system into the Abelian phase, as can be seen by measuring the Hausdorff dimension of loops. Local quantum critical behavior is found in a loop gas in which all equal-time correlations of local operators decay exponentially.

*Phys Rev Lett ; 101(5): 050401, 2008 Aug 01.*

##### RESUMO

We show that chains of interacting Fibonacci anyons can support a wide variety of collective ground states ranging from extended critical, gapless phases to gapped phases with ground-state degeneracy and quasiparticle excitations. In particular, we generalize the Majumdar-Ghosh Hamiltonian to anyonic degrees of freedom by extending recently studied pairwise anyonic interactions to three-anyon exchanges. The energetic competition between two- and three-anyon interactions leads to a rich phase diagram that harbors multiple critical and gapped phases. For the critical phases and their higher symmetry end points we numerically establish descriptions in terms of two-dimensional conformal field theories. A topological symmetry protects the critical phases and determines the nature of gapped phases.

*Phys Rev Lett ; 98(16): 160409, 2007 Apr 20.*

##### RESUMO

We discuss generalizations of quantum spin Hamiltonians using anyonic degrees of freedom. The simplest model for interacting anyons energetically favors neighboring anyons to fuse into the trivial ("identity") channel, similar to the quantum Heisenberg model favoring neighboring spins to form spin singlets. Numerical simulations of a chain of Fibonacci anyons show that the model is critical with a dynamical critical exponent z=1, and described by a two-dimensional (2D) conformal field theory with central charge c=7/10. An exact mapping of the anyonic chain onto the 2D tricritical Ising model is given using the restricted-solid-on-solid representation of the Temperley-Lieb algebra. The gaplessness of the chain is shown to have topological origin.

*Phys Rev Lett ; 98(7): 070602, 2007 Feb 16.*

##### RESUMO

We study the stability of topological order against local perturbations by considering the effect of a magnetic field on a spin model--the toric code--which is in a topological phase. The model can be mapped onto a quantum loop gas where the perturbation introduces a bare loop tension. When the loop tension is small, the topological order survives. When it is large, it drives a continuous quantum phase transition into a magnetic state. The transition can be understood as the condensation of "magnetic" vortices, leading to confinement of the elementary "charge" excitations. We also show how the topological order breaks down when the system is coupled to an Ohmic heat bath and relate our results to error rates for topological quantum computations.

*Phys Rev Lett ; 96(25): 250402, 2006 Jun 30.*

##### RESUMO

We study controlled generation and measurement of superfluid d-wave resonating valence bond (RVB) states of fermionic atoms in 2D optical lattices. Starting from loading spatial and spin patterns of atoms in optical superlattices as pure quantum states from a Fermi gas, we adiabatically transform this state to an RVB state by a change of the lattice parameters. Results of exact time-dependent numerical studies for ladders systems are presented, suggesting generation of RVB states on a time scale smaller than typical experimental decoherence times.

*J Chem Phys ; 124(17): 174903, 2006 May 07.*

##### RESUMO

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.

##### Assuntos

Simulação por Computador , Proteínas de Neurofilamentos/química , Fragmentos de Peptídeos/química , Proteínas/química , Algoritmos , Estrutura Secundária de Proteína*Phys Rev E Stat Nonlin Soft Matter Phys ; 72(4 Pt 2): 046704, 2005 Oct.*

##### RESUMO

We study the performance of Monte Carlo simulations that sample a broad histogram in energy by determining the mean first-passage time to span the entire energy space of d-dimensional ferromagnetic Ising/Potts models. We first show that flat-histogram Monte Carlo methods with single-spin flip updates such as the Wang-Landau algorithm or the multicanonical method perform suboptimally in comparison to an unbiased Markovian random walk in energy space. For the d = 1, 2, 3 Ising model, the mean first-passage time tau scales with the number of spins N = L(d) as tau proportional N2L(z). The exponent z is found to decrease as the dimensionality d is increased. In the mean-field limit of infinite dimensions we find that z vanishes up to logarithmic corrections. We then demonstrate how the slowdown characterized by z > 0 for finite d can be overcome by two complementary approaches--cluster dynamics in connection with Wang-Landau sampling and the recently developed ensemble optimization technique. Both approaches are found to improve the random walk in energy space so that tau proportional N2 up to logarithmic corrections for the d = 1, 2 Ising model.