4,220 research outputs found
Noise-induced vortex reversal of self-propelled particles
We report an interesting phenomenon of noise-induced vortex reversal in a
two-dimensional system of self-propelled particles (SPP) with soft-core
interactions. With the aid of forward flux sampling, we analyze the
configurations along the reversal pathway and thus identify the mechanism of
vortex reversal. We find that statistically the reversal exhibits a
hierarchical process: those particles at the periphery first change their
motion directions, and then more inner layers of particles reverse later on.
Furthermore, we calculate the dependence of the average reversal rate on noise
intensity and the number of SPP. We find that the rate decreases
exponentially with the reciprocal of . Interestingly, the rate varies
nonmonotonically with and a minimal rate exists for an intermediate value
of .Comment: 4 pages, 5 figure
Green-Function-Based Monte Carlo Method for Classical Fields Coupled to Fermions
Microscopic models of classical degrees of freedom coupled to non-interacting
fermions occur in many different contexts. Prominent examples from solid state
physics are descriptions of colossal magnetoresistance manganites and diluted
magnetic semiconductors, or auxiliary field methods for correlated electron
systems. Monte Carlo simulations are vital for an understanding of such
systems, but notorious for requiring the solution of the fermion problem with
each change in the classical field configuration. We present an efficient,
truncation-free O(N) method on the basis of Chebyshev expanded local Green
functions, which allows us to simulate systems of unprecedented size N.Comment: 4 pages, 3 figure
The Child is Father of the Man: Foresee the Success at the Early Stage
Understanding the dynamic mechanisms that drive the high-impact scientific
work (e.g., research papers, patents) is a long-debated research topic and has
many important implications, ranging from personal career development and
recruitment search, to the jurisdiction of research resources. Recent advances
in characterizing and modeling scientific success have made it possible to
forecast the long-term impact of scientific work, where data mining techniques,
supervised learning in particular, play an essential role. Despite much
progress, several key algorithmic challenges in relation to predicting
long-term scientific impact have largely remained open. In this paper, we
propose a joint predictive model to forecast the long-term scientific impact at
the early stage, which simultaneously addresses a number of these open
challenges, including the scholarly feature design, the non-linearity, the
domain-heterogeneity and dynamics. In particular, we formulate it as a
regularized optimization problem and propose effective and scalable algorithms
to solve it. We perform extensive empirical evaluations on large, real
scholarly data sets to validate the effectiveness and the efficiency of our
method.Comment: Correct some typos in our KDD pape
Pairwise entanglement and readout of atomic-ensemble and optical wave-packet modes in traveling-wave Raman interactions
We analyze quantum entanglement of Stokes light and atomic electronic
polarization excited during single-pass, linear-regime, stimulated Raman
scattering in terms of optical wave-packet modes and atomic-ensemble spatial
modes. The output of this process is confirmed to be decomposable into multiple
discrete, bosonic mode pairs, each pair undergoing independent evolution into a
two-mode squeezed state. For this we extend the Bloch-Messiah reduction
theorem, previously known for discrete linear systems (S. L. Braunstein, Phys.
Rev. A, vol. 71, 055801 (2005)). We present typical mode functions in the case
of one-dimensional scattering in an atomic vapor. We find that in the absence
of dispersion, one mode pair dominates the process, leading to a simple
interpretation of entanglement in this continuous-variable system. However,
many mode pairs are excited in the presence of dispersion-induced temporal
walkoff of the Stokes, as witnessed by the photon-count statistics. We also
consider the readout of the stored atomic polarization using the anti-Stokes
scattering process. We prove that the readout process can also be decomposed
into multiple mode pairs, each pair undergoing independent evolution analogous
to a beam-splitter transformation. We show that this process can have unit
efficiency under realistic experimental conditions. The shape of the output
light wave packet can be predicted. In case of unit readout efficiency it
contains only excitations originating from a specified atomic excitation mode
Partitioning of a polymer chain between a confining cavity and a gel
A lattice field theory approach to the statistical mechanics of charged
polymers in electrolyte solutions [S. Tsonchev, R. D. Coalson, and A. Duncan,
Phys. Rev. E 60, 4257, (1999)] is applied to the study of a polymer chain
contained in a spherical cavity but able to diffuse into a surrounding gel. The
distribution of the polymer chain between the cavity and the gel is described
by its partition coefficient, which is computed as a function of the number of
monomers in the chain, the monomer charge, and the ion concentrations in the
solution.Comment: 17 pages, 6 figure
Resolving the notorious case of conical intersections for coupled cluster dynamics
The motion of electrons and nuclei in photochemical events often involve
conical intersections, degeneracies between electronic states. They serve as
funnels for nuclear relaxation - on the femtosecond scale - in processes where
the electrons and nuclei couple nonadiabatically. Accurate ab initio quantum
chemical models are essential for interpreting experimental measurements of
such phenomena. In this paper we resolve a long-standing problem in coupled
cluster theory, presenting the first formulation of the theory that correctly
describes conical intersections between excited electronic states of the same
symmetry. This new development demonstrates that the highly accurate coupled
cluster theory can be applied to describe dynamics on excited electronic states
involving conical intersections.Comment: 8 pages and 3 figures and including supporting information (with
corrections and improved notation
Chiral properties of two-flavor QCD in small volume and at large lattice spacing
We present results from simulations of two flavors of dynamical overlap
fermions on 8^4 lattices at three values of the sea quark mass and a lattice
spacing of about 0.16 fm. We measure the topological susceptibility and the
chiral condensate. A comparison of the low-lying spectrum of the overlap
operator with predictions from random matrix theory is made. To demonstrate the
effect of the dynamical fermions, we compare meson two-point functions with
quenched results. Algorithmic improvements over a previous publication and the
performance of the algorithm are discussed.Comment: 16 pages, 12 figure
Parallel density matrix propagation in spin dynamics simulations
Several methods for density matrix propagation in distributed computing
environments, such as clusters and graphics processing units, are proposed and
evaluated. It is demonstrated that the large communication overhead associated
with each propagation step (two-sided multiplication of the density matrix by
an exponential propagator and its conjugate) may be avoided and the simulation
recast in a form that requires virtually no inter-thread communication. Good
scaling is demonstrated on a 128-core (16 nodes, 8 cores each) cluster.Comment: Submitted for publicatio
A Fast and Efficient Algorithm for Slater Determinant Updates in Quantum Monte Carlo Simulations
We present an efficient low-rank updating algorithm for updating the trial
wavefunctions used in Quantum Monte Carlo (QMC) simulations. The algorithm is
based on low-rank updating of the Slater determinants. In particular, the
computational complexity of the algorithm is O(kN) during the k-th step
compared with traditional algorithms that require O(N^2) computations, where N
is the system size. For single determinant trial wavefunctions the new
algorithm is faster than the traditional O(N^2) Sherman-Morrison algorithm for
up to O(N) updates. For multideterminant configuration-interaction type trial
wavefunctions of M+1 determinants, the new algorithm is significantly more
efficient, saving both O(MN^2) work and O(MN^2) storage. The algorithm enables
more accurate and significantly more efficient QMC calculations using
configuration interaction type wavefunctions
Optimal purification of a generic n-qudit state
We propose a quantum algorithm for the purification of a generic mixed state
of a -qudit system by using an ancillary -qudit system. The
algorithm is optimal in that (i) the number of ancillary qudits cannot be
reduced, (ii) the number of parameters which determine the purification state
exactly equals the number of degrees of freedom of , and (iii)
is easily determined from the density matrix . Moreover, we
introduce a quantum circuit in which the quantum gates are unitary
transformations acting on a -qudit system. These transformations are
determined by parameters that can be tuned to generate, once the ancillary
qudits are disregarded, any given mixed -qudit state.Comment: 8 pages, 9 figures, remarks adde
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