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We consider discrete stochastic processes, modeled by classical master equations, on networks. The temporal growth of the lack of information about the system is captured by its non-equilibrium entropy, defined via the transition probabilities between different nodes of the network. We derive a relation between the entropy and the spectrum of the master equation's transfer matrix. Our findings indicate that the temporal growth of the entropy is proportional to the logarithm of time if the spectral density shows scaling. In analogy to chaos theory, the proportionality factor is called (stochastic) information dimension and gives a global characterization of the dynamics on the network. These general results are corroborated by examples of regular and of fractal networks., Comment: 13 pages, 4 figures

We study the transport efficiency of excitations on complex quantum networks with loops. For this we consider sequentially growing networks with different topologies of the sequential subgraphs. This can lead either to a universal complete breakdown of transport for complete-graph-like sequential subgraphs or to optimal transport for ring-like sequential subgraphs. The transition to optimal transport can be triggered by systematically reducing the number of loops of complete-graph-like sequential subgraphs in a small-world procedure. These effects are explained on the basis of the spectral properties of the network's Hamiltonian. Our theoretical considerations are supported by numerical Monte-Carlo simulations for complex quantum networks with a scale-free size distribution of sequential subgraphs and a small-world-type transition to optimal transport., Comment: 5 pages, 2 figures

We consider single-particle quantum transport on parametrized complex networks. Based on general arguments regarding the spectrum of the corresponding Hamiltonian, we derive bounds for a measure of the global transport efficiency defined by the time-averaged return probability. For tree-like networks, we show analytically that a transition from efficient to inefficient transport occurs depending on the (average) functionality of the nodes of the network. In the infinite system size limit, this transition can be characterized by an exponent which is universal for all tree-like networks. Our findings are corroborated by analytic results for specific deterministic networks, dendrimers and Viscek fractals, and by Monte Carlo simulations of iteratively built scale-free trees., Comment: 4 pages, 2 figures

We study the quantum dynamics of Gaussian wave packets on star graphs whose arms feature each a periodic potential and an external time-dependent field. Assuming that the potentials and the field can be manipulated separately for each arm of the star, we show that it is possible to manipulate the direction of the motion of a Gaussian wave packet through the bifurcation point by a suitable choice of the parameters of the external fields. In doing so, one can achieve a transmission of the wave packet into the desired arm with nearly 70\% while also keeping the shape of the wave packet approximately intact. Since a star graph is the simplest element of many other complex graphs, the obtained results can be considered as the first step to wave packet manipulations on complex networks.

Quantum transport through disordered structures is inhibited by (Anderson) localization effects. The disorder can be either topological as in random networks or energetical as in the original Anderson model. In both cases the eigenstates of the Hamiltonian associated with the network become localized. We show how to overcome localization by network multiplexing. Here, multiple layers of random networks with the same number of nodes are stacked in such a way that in the perpendicular directions regular one-dimensional networks are formed. Depending on the ratio of the coupling within the layer and perpendicular to it, transport gets either enhanced or diminished. In particular, if the couplings are of the same order, transport gets enhanced and localization effects can be overcome. We exemplify our results by two examples: multiplexes of random networks and of one-dimensional Anderson models., Comment: 4 pages, 3 figures, fixed references

We study the temporal growth of the von Neumann entropy for dissipative quantum walks on networks. By using a phenomenological quantum master equation, the quantum stochastic walk (QSW), we are able to parametrically scan the crossover from purely coherent quantum walks to purely diffusive random walks. In the latter limit the entropy shows a logarithmic growth, which is proportional to the information dimension of the random walk on the network. Here we present results for the von Neumann entropy based on the reduced density operator of the QSW. It shows a similar logarithmic growth for a wide range of parameter values and networks. As a consequence, we propose the logarithmic growth rate of the von Neumann entropy to be a natural extension of the information dimension to dissipative quantum systems. We corroborate our results by comparing to numerically exact simulations., Comment: 5 pages, 3 figures

We model quantum transport, described by continuous-time quantum walks (CTQW), on deterministic Sierpinski fractals, differentiating between Sierpinski gaskets and Sierpinski carpets, along with their dual structures. The transport efficiencies are defined in terms of the exact and the average return probabilities, as well as by the mean survival probability when absorbing traps are present. In the case of gaskets, localization can be identified already for small networks (generations). For carpets, our numerical results indicate a trend towards localization, but only for relatively large structures. The comparison of gaskets and carpets further implies that, distinct from the corresponding classical continuous-time random walk, the spectral dimension does not fully determine the evolution of the CTQW., Comment: 10 pages, 6 figures

We study the transport properties of continuous-time quantum walks (CTQW) over finite two-dimensional structures with a given number of randomly placed bonds and with different aspect ratios (AR). Here, we focus on the transport from, say, the left side to the right side of the structure where absorbing sites are placed. We do so by analyzing the long-time average of the survival probability of CTQW. We compare the results to the classical continuous-time random walk case (CTRW). For small AR (landscape configurations) we observe only small differences between the quantum and the classical transport properties, i.e., roughly the same number of bonds is needed to facilitate the transport. However, with increasing AR (portrait configurations) a much larger number of bonds is needed in the CTQW case than in the CTRW case. While for CTRW the number of bonds needed decreases when going from small AR to large AR, for CTRW this number is large for small AR, has a minimum for the square configuration, and increases again for increasing AR. We corroborate our findings for large AR by showing that the corresponding quantum eigenstates are strongly localized in situations in which the transport is facilitated in the CTRW case., Comment: 7 pages, 4 figures

We investigate the excitonic energy transfer (EET) in the Fenna-Matthews-Olsen complex and obtain the linear absorption spectrum (at 300 K) by a phenomenological time-convolutionless (TCL) master equation which is validated by utilizing Path Integral Monte Carlo (PIMC) simulations. By applying Marcus' theory for choosing the proper Lindblad operators for the long-time incoherent hopping process and using local non-Markovian dephasing rates, our model shows very good agreement with the PIMC results for EET. It also correctly reproduces the linear absorption spectrum that is found in experiment, without using any fitting parameters., Comment: Added citations and small typographic corrections

We study the transport of excitations on a V-shaped network of three coupled two-level systems that are subjected to an environment that induces incoherent hopping between the nodes. Two of the nodes are coupled to a source while the third node is coupled to a drain. A common feature of these networks is the existence of a dark-state that blocks the transport to the drain. Here we propose a means to avoid this state by a suitable choice of initial correlations, induced by a source that is common to both coupled nodes., Comment: 5 pages, 3 figures

We study the dynamics of continuous-time quantum walks (CTQW) on networks with highly degenerate eigenvalue spectra of the corresponding connectivity matrices. In particular, we consider the two cases of a star graph and of a complete graph, both having one highly degenerate eigenvalue, while displaying different topologies. While the CTQW spreading over the network - in terms of the average probability to return or to stay at an initially excited node - is in both cases very slow, also when compared to the corresponding classical continuous-time random walk (CTRW), we show how the spreading is enhanced by randomly adding bonds to the star graph or removing bonds from the complete graph. Then, the spreading of the excitations may become very fast, even outperforming the corresponding CTRW. Our numerical results suggest that the maximal spreading is reached halfway between the star graph and the complete graph. We further show how this disorder-enhanced spreading is related to the networks' eigenvalues., Comment: 8 pages, 6 figure

We study transport in topologically disordered networks that are subjected to an environment that induces classical diffusion. The dynamics is phenomenologically described within the framework of the recently introduced quantum stochastic walk, allowing to study the crossover between coherent transport and purely classical diffusion. We find that the coupling to the environment removes all effects of localization and quickly leads to classical transport. Furthermore, we find that on the level of the transport efficiency, the system can be well described by reducing it to a two-node network (a dimer)., Comment: 10 pages, 7 figures

This paper reviews recent advances in continuous-time quantum walks (CTQW) and their application to transport in various systems. The introduction gives a brief survey of the historical background of CTQW. After a short outline of the theoretical ideas behind CTQW and of its relation to classical continuous-time random walks (CTRW) in Sec.~2, implications for the efficiency of the transport are presented in Sec.~3. The fourth section gives an overview of different types of networks on which CTQW have been studied so far. Extensions of CTQW to systems with long-range interactions and with static disorder are discussed in section V. Systems with traps, i.e., systems in which the walker's probability to remain inside the system is not conserved, are presented in section IV. Relations to similar approaches to the transport are studied in section VII. The paper closes with an outlook on possible future directions., Comment: review article to appear in Physics Reports, 39 pages, 44 figures

We study the coherent dynamics of excitations on vibrating chains. By applying an external field and matching the field strength with the oscillation frequency of the chain it is possible to obtain an (average) transport of an initial Gaussian wave packet. We distinguish between a uniform oscillation of all nodes of the chain and the chain being in its lowest eigenmode. Both cases can lead to directed transport., Comment: 7 pages, 10 figures (some of the figures are in png-format, high-quality pdf-files available upon request)

We study the dynamics and trapping of excitations for a dimer with an energy off-set $\Delta$ coupled to an external environment. Using a Lindblad quantum master equation approach, we calculate the survival probability $\Pi(t)$ of the excitation and define different lifetimes $\tau_s$ of the excitation, corresponding to the duration of the decay of $\Pi(t)$ in between two predefined values. We show that it is not possible to always enhance the overall decay to the trap. However, it is possible, even for not too small environmental couplings and for values of $\Delta$ of the order ${\cal O}(1)$, to decrease certain lifetimes $\tau_s$, leading to faster decay of $\Pi(t)$ in these time intervals: There is an optimal environmental coupling, leading to a maximal decay for fixed $\Delta$., Comment: 5 pages, 4 figures

We study continuous-time quantum walks mimicking the quantum search based on Grover's procedure. This allows us to consider structures, that is, databases, with arbitrary topological arrangements of their entries. We show that the topological structure of the database plays a crucial role by analyzing, both analytically and numerically, the transition from the ground to the first excited state of the Hamiltonian associated with different (fractal) structures. Additionally, we use the probability of successfully finding a specific target as another indicator of the importance of the topological structure., Comment: 15 pages, 14 figures

The trapping of excitations in systems coupled to an environment allows to study the quantum to classical crossover by different means. We show how to combine the phenomenological description by a non-hermitian Liouville-von Neumann Equation (LvNE) approach with the numerically exact path integral Monte-Carlo (PIMC) method, and exemplify our results for a system of two coupled two-level systems. By varying the strength of the coupling to the environment we are able to estimate the parameter range in which the LvNE approach yields satisfactory results. Moreover, by matching the PIMC results with the LvNE calculations we have a powerful tool to extrapolate the numerically exact PIMC method to long times., Comment: 5 pages, 2 figures

Recent findings suggest that processes such as the electronic energy transfer through the photosynthetic antenna display quantal features, aspects known from the dynamics of charge carriers along polymer backbones. Hence, in modeling energy transfer one has to leave the classical, master-equation-type formalism and advance towards an increasingly quantum-mechanical picture, while still retaining a local description of the complex network of molecules involved in the transport, say through a tight-binding approach. Interestingly, the continuous time random walk (CTRW) picture, widely employed in describing transport in random environments, can be mathematically reformulated to yield a quantum-mechanical Hamiltonian of tight-binding type; the procedure uses the mathematical analogies between time-evolution operators in statistical and in quantum mechanics: The result are continuous-time quantum walks (CTQWs). However, beyond these formal analogies, CTRWs and CTQWs display vastly different physical properties. In particular, here we focus on trapping processes on a ring and show, both analytically and numerically, that distinct configurations of traps (ranging from periodical to random) yield strongly different behaviours for the quantal mean survival probability, while classically (under ordered conditions) we always find an exponential decay at long times., Comment: 8 pages, 6 figures; to be published in International Journal of Bifurcation and Chaos

We analyze the coherent dynamics of excitons in three dimensional topologically disordered networks with traps. If the interactions between the nodes of the network are long ranged, i.e., algebraically decaying as a function of the distance between the nodes, the average survival probability of an exciton surprisingly shows a characteristic decay with features similar to the decay found for regular one-dimensional systems. We further show how this decay can be related to the eigenstates of the same system without a trap., Comment: 5 pages, 5 figures

We study quantum transport on finite discrete structures and we model the process by means of continuous-time quantum walks. A direct and effective comparison between quantum and classical walks can be attained based on the average displacement of the walker as a function of time. Indeed, a fast growth of the average displacement can be advantageously exploited to build up efficient search algorithms. By means of analytical and numerical investigations, we show that the finiteness and the inhomogeneity of the substrate jointly weaken the quantum walk performance. We further highlight the interplay between the quantum-walk dynamics and the underlying topology by studying the temporal evolution of the transfer probability distribution and the lower bound of long time averages., Comment: 25 pages, 13 figures

Long-range interactions slow down the excitation trapping in quantum transport processes on a one-dimensional chain with traps at both ends. This is counter intuitive and in contrast to the corresponding classical processes with long-range interactions, which lead to faster excitation trapping. We give a pertubation theoretical explanation of this effect., Comment: 4 pages, 3 figures

Quantum walks with long-range steps $R^{-\gamma}$ ($R$ being the distance between sites) on a discrete line behave in similar ways for all $\gamma\geq2$. This is in contrast to classical random walks, which for $\gamma >3$ belong to a different universality class than for $\gamma \leq 3$. We show that the average probabilities to be at the initial site after time $t$ as well as the mean square displacements are of the same functional form for quantum walks with $\gamma=2$, 4, and with nearest neighbor steps. We interpolate this result to arbitrary $\gamma\geq2$., Comment: 4 pages, 3 figures

We show by general arguments that networks whose density of states contains few highly degenerate eigenvalues result in inefficient performances of continuous-time quantum walks (CTQW) over these networks, while systems whose eigenvalues all have the same degeneracy lead to very efficient transport. We exemplify our results by considering CTQW and, for comparison, its classical counterpart, continuous-time random walks, over simple structures, whose eigenvalues and eigenstates can be calculated analytically. Extensions to more complicated, hyper-branched networks are discussed., Comment: 6 pages, 4 figures

In the quest for signatures of coherent transport we consider exciton trapping in the continuous-time quantum walk framework. The survival probability displays different decay domains, related to distinct regions of the spectrum of the Hamiltonian. For linear systems and at intermediate times the decay obeys a power-law, in contrast to the corresponding exponential decay found in incoherent continuous-time random walk situations. To differentiate between the coherent and incoherent mechanisms, we present an experimental protocol based on a frozen Rydberg gas structured by optical dipole traps., Comment: 4 pages, 4 figures

We consider the quantum mechanical transport of (coherent) excitons on small-world networks (SWN). The SWN are build from a one-dimensional ring of N nodes by randomly introducing B additional bonds between them. The exciton dynamics is modeled by continuous-time quantum walks and we evaluate numerically the ensemble averaged transition probability to reach any node of the network from the initially excited one. For sufficiently large B we find that the quantum mechanical transport through the SWN is, first, very fast, given that the limiting value of the transition probability is reached very quickly; second, that the transport does not lead to equipartition, given that on average the exciton is most likely to be found at the initial node., Comment: 8 pages, 8 figures (high quality figures available upon request)

We study numerically the dynamics of excitons on discrete rings in the presence of static disorder. Based on continuous-time quantum walks we compute the time evolution of the Wigner function (WF) both for pure diagonal (site) disorder, as well as for diagonal and off-diagonal (site and transfer) disorder. In both cases, large disorder leads to localization and destroys the characteristic phase space patterns of the WF found in the absence of disorder., Comment: 8 pages, 9 figures. slight revision of the text and addition of a new figure. to be published in Phys. Rev. E

We study the quantum-mechanical transport on two-dimensional graphs by means of continuous-time quantum walks and analyse the effect of different boundary conditions (BCs). For periodic BCs in both directions, i.e., for tori, the problem can be treated in a large measure analytically. Some of these results carry over to graphs which obey open boundary conditions (OBCs), such as cylinders or rectangles. Under OBCs the long time transition probabilities (LPs) also display asymmetries for certain graphs, as a function of their particular sizes. Interestingly, these effects do not show up in the marginal distributions, obtained by summing the LPs along one direction., Comment: 22 pages, 11 figure, acceted for publication in J.Phys.A

We study the coherent transport modeled by continuous-time quantum walks, focussing on hierarchical structures. For these we use Husimi cacti, lattices dual to the dendrimers. We find that the transport depends strongly on the initial site of the excitation. For systems of sizes $N\le21$, we find that processes which start at central sites are nearly recurrent. Furthermore, we compare the classical limiting probability distribution to the long time average of the quantum mechanical transition probability which shows characteristic patterns. We succeed in finding a good lower bound for the (space) average of the quantum mechanical probability to be still or again at the initial site., Comment: 7 pages, 5 figures

We propose a measure to quantify the efficiency of classical and quantum mechanical transport processes on graphs. The measure only depends on the density of states (DOS), which contains all the necessary information about the graph. For some given (continuous) DOS, the measure shows a power law behavior, where the exponent for the quantum transport is twice the exponent of its classical counterpart. For small-world networks, however, the measure shows rather a stretched exponential law but still the quantum transport outperforms the classical one. Some finite tree-graphs have a few highly degenerate eigenvalues, such that, on the other hand, on them the classical transport may be more efficient than the quantum one., Comment: 5 pages, 3 figures

We model coherent exciton transport in dendrimers by continuous-time quantum walks (CTQWs). For dendrimers up to the second generation the coherent transport shows perfect recurrences, when the initial excitation starts at the central node. For larger dendrimers, the recurrence ceases to be perfect, a fact which resembles results for discrete quantum carpets. Moreover, depending on the initial excitation site we find that the coherent transport to certain nodes of the dendrimer has a very low probability. When the initial excitation starts from the central node, the problem can be mapped onto a line which simplifies the computational effort. Furthermore, the long time average of the quantum mechanical transition probabilities between pairs of nodes show characteristic patterns and allow to classify the nodes into clusters with identical limiting probabilities. For the (space) average of the quantum mechanical probability to be still or again at the initial site, we obtain, based on the Cauchy-Schwarz inequality, a simple lower bound which depends only on the eigenvalue spectrum of the Hamiltonian., Comment: 8 pages, 8 figures, accepted for publication in J. Chem. Phys

We formulate continuous time quantum walks (CTQW) in a discrete quantum mechanical phase space. We define and calculate the Wigner function (WF) and its marginal distributions for CTQWs on circles of arbitrary length $N$. The WF of the CTQW shows characteristic features in phase space. Revivals of the probability distributions found for continuous and for discrete quantum carpets do manifest themselves as characteristic patterns in phase space., Comment: slightly revised version to be published in PRA, 6 pages, 6 color figures (high quality postscript figures are available upon request)

We study numerically the behavior of continuous-time quantum walks over networks which are topologically equivalent to square lattices. On short time scales, when placing the initial excitation at a corner of the network, we observe a fast, directed transport through the network to the opposite corner. This transport is not ballistic in nature, but rather produced by quantum mechanical interference. In the long time limit, certain walks show an asymmetric limiting probability distribution; this feature depends on the starting site and, remarkably, on the precise size of the network. The limiting probability distributions show patterns which are correlated with the initial condition. This might have consequences for the application of continuous time quantum walk algorithms., Comment: 9 pages, 12 figures, revtex4

The propagation by continuous time quantum walks (CTQWs) on one-dimensional lattices shows structures in the transition probabilities between different sites reminiscent of quantum carpets. For a system with periodic boundary conditions, we calculate the transition probabilities for a CTQW by diagonalizing the transfer matrix and by a Bloch function ansatz. Remarkably, the results obtained for the Bloch function ansatz can be related to results from (discrete) generalized coined quantum walks. Furthermore, we show that here the first revival time turns out to be larger than for quantum carpets., Comment: 5 pages, 4 figures; accepted for publication in PRE

A Lorentz gas may be defined as a system of fixed dispersing scatterers, with a single light particle moving among these and making specular collisions on encounters with the scatterers. For a dilute Lorentz gas with open boundaries in $d$ dimensions we relate the thermodynamic formalism to a random flight problem. Using this representation we analytically calculate the central quantity within this formalism, the topological pressure, as a function of system size and a temperature-like parameter $\ba$. The topological pressure is given as the sum of the topological pressure for the closed system and a diffusion term with a $\ba$-dependent diffusion coefficient. From the topological pressure we obtain the Kolmogorov-Sinai entropy on the repeller, the topological entropy, and the partial information dimension., Comment: 7 pages, 5 figures

Continuous time quantum walks (CTQW) do not necessarily perform better than their classical counterparts, the continuous time random walks (CTRW). For one special graph, where a recent analysis showed that in a particular direction of propagation the penetration of the graph is faster by CTQWs than by CTRWs, we demonstrate that in another direction of propagation the opposite is true; In this case a CTQW initially localized at one site displays a slow transport. We furthermore show that when the CTQW's initial condition is a totally symmetric superposition of states of equivalent sites, the transport gets to be much more rapid., Comment: 5 pages, 7 figures, accepted for publication in Phys. Rev. E

We analytically determine the dynamical properties of two dimensional field driven Lorentz gases within the thermodynamic formalism. For dilute gases subjected to an iso-kinetic thermostat, we calculate the topological pressure as a function of a temperature-like parameter $\ba$ up to second order in the strength of the applied field. The Kolmogorov-Sinai entropy and the topological entropy can be extracted from a dynamical entropy defined as a Legendre transform of the topological pressure. Our calculations of the Kolmogorov-Sinai entropy exactly agree with previous calculations based on a Lorentz-Boltzmann equation approach. We give analytic results for the topological entropy and calculate the dimension spectrum from the dynamical entropy function., Comment: 9 pages, 5 figures

We present an analysis of the thermodynamic properties of small transition metal clusters and show how the commonly used indicators of phase transitions like peaks in the specific heat or magnetic susceptibility can lead to deceptive interpretations of the underlying physics. The analysis of the distribution of zeros of the canonical partition function in the whole complex temperature plane reveals the nature of the transition. We show that signals in the magnetic susceptibility at positive temperatures have their origin at zeros lying at negative temperatures., Comment: 4 pages, 5 figures, revtex4, for further information see http://www.smallsystems.de

The identification and classification of phases in small systems, e.g. nuclei, social and financial networks, clusters, and biological systems, where the traditional definitions of phase transitions are not applicable, is important to obtain a deeper understanding of the phenomena observed in such systems. Within a simple statistical model we investigate the validity and applicability of different classification schemes for phase transtions in small systems. We show that the whole complex temperature plane contains necessary information in order to give a distinct classification., Comment: 3 pages, 4 figures, revtex 4 beta 5, for further information see http://www.smallsystems.de

Using a recently proposed classification scheme for phase transitions in finite systems [Phys.Rev.Lett.{\bf 84},3511 (2000)] we show that within the statistical standard model of nuclear multifragmentation the predicted phase transition is of first order., Comment: 5 pages, 4 eps figures, accepted for publication in Phys.Rev.C (in press)

We derive an exact recursion formula for the calculation of thermodynamic functions of finite systems obeying Bose-Einstein statistics. The formula is applicable for canonical systems where the particles can be treated as noninteracting in some approximation, e.g. like Bose-Einstein condensates in magnetic traps. The numerical effort of our computation scheme grows only linear with the number of particles. As an example we calculate the relative ground state fluctuations and specific heats for ideal Bose gases with a finite numbers of particles enclosed in containers of different shapes., Comment: 9 pages, 2 postscript figures

We present a detailed description of a classification scheme for phase transitions in finite systems based on the distribution of Fisher zeros of the canonical partition function in the complex temperature plane. We apply this scheme to finite Bose-systems in power law traps within a semi-analytic approach with a continuous one-particle density of states $\Omega(E)\sim E^{d-1}$ for different values of $d$ and to a three dimensional harmonically confined ideal Bose-gas with discrete energy levels. Our results indicate that the order of the Bose-Einstein condensation phase transition sensitively depends on the confining potential., Comment: 7 pages, 9 eps-figures, For recent information on physics of small systems see "http://www.smallsystems.de"

We use the Path Integral Monte Carlo method to investigate the interplay between shell effects and electron correlations in single quantum dots with up to 12 electrons. By use of an energy estimator based on the hypervirial theorem of Hirschfelder we study the energy contributions of different interaction terms in detail. We discuss under which conditions the total spin of the electrons is given by Hund's rule, and the temperature dependence of the crystallization effects., Comment: 6 pages, 4 figures

We present a classification scheme for phase transitions in finite systems like atomic and molecular clusters based on the Lee-Yang zeros in the complex temperature plane. In the limit of infinite particle numbers the scheme reduces to the Ehrenfest definition of phase transitions and gives the right critical indices. We apply this classification scheme to Bose-Einstein condensates in a harmonic trap as an example of a higher order phase transitions in a finite system and to small Ar clusters., Comment: 12 pages, 4 figures, accepted for publication in Phys. Rev. Lett