Search results for "Simulation."
showing 10 items of 4779 documents
Controlling Exciton Propagation in Organic Crystals through Strong Coupling to Plasmonic Nanoparticle Arrays.
2022
Exciton transport in most organic materials is based on an incoherent hopping process between neighboring molecules. This process is very slow, setting a limit to the performance of organic optoelectronic devices. In this Article, we overcome the incoherent exciton transport by strongly coupling localized singlet excitations in a tetracene crystal to confined light modes in an array of plasmonic nanoparticles. We image the transport of the resulting exciton–polaritons in Fourier space at various distances from the excitation to directly probe their propagation length as a function of the exciton to photon fraction. Exciton–polaritons with an exciton fraction of 50% show a propagation length…
Parallelization strategies for density matrix renormalization group algorithms on shared-memory systems
2003
Shared-memory parallelization (SMP) strategies for density matrix renormalization group (DMRG) algorithms enable the treatment of complex systems in solid state physics. We present two different approaches by which parallelization of the standard DMRG algorithm can be accomplished in an efficient way. The methods are illustrated with DMRG calculations of the two-dimensional Hubbard model and the one-dimensional Holstein-Hubbard model on contemporary SMP architectures. The parallelized code shows good scalability up to at least eight processors and allows us to solve problems which exceed the capability of sequential DMRG calculations.
Quasi-continuous-time impurity solver for the dynamical mean-field theory with linear scaling in the inverse temperature
2013
We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary Hamiltonian, for which the Green function is computed by combining determinantal quantum Monte Carlo (BSS-QMC) calculations with a multigrid extrapolation procedure. The method is numerically exact, i.e., yields results which are free of significant Trotter errors, but retains the BSS advantage, compared to direct QMC impurity solvers, of linear (instead of cubic) scaling with the inverse temperature. The new algorithm is applied to the half-filled Hubbard mo…
Observation of the condensation of classical waves
2010
We report a theoretical, numerical and experimental study of condensation of classical optical waves. The condensation of observed directly, as a function of nonlinearity and wave kinetic energy, in a self-defocusing photorefractive crystal.
Three-mode two-boson Jaynes–Cummings model in trapped ions
2006
In this paper, we analyse a two-boson three-mode Jaynes–Cummings model which can be implemented in the context of trapped ions. The symmetries of the Hamiltonian are brought to light and analysed in detail in order to solve the eigenvalue problem. The calculation of the time evolution operator shows the possibility of realizing interesting applications, such as the generation of nonclassical states.
(Regular) pseudo-bosons versus bosons
2012
We discuss in which sense the so-called {\em regular pseudo-bosons}, recently introduced by Trifonov and analyzed in some details by the author, are related to ordinary bosons. We repeat the same analysis also for {\em pseudo-bosons}, and we analyze the role played by certain intertwining operators, which may be bounded or not.
SPATIAL MULTIFRACTALITY OF ELECTRONIC STATES AND THE METAL-INSULATOR TRANSITION IN DISORDERED SYSTEMS
1993
For the investigation of the spatial behavior of electronic wave functions in disordered systems, we employ the Anderson model of localization. The eigenstates of the corresponding Hamiltonian are calculated numerically by means of the Lanczos algorithm and are analyzed with respect to their spatial multifractal properties. We find that the wave functions show spatial multifractality for all parameter cases not too far away from the metal-insulator transition (MIT) which separates localized from extended states in this model. Exactly at the MIT, multifractality is expected to exist on all length scales larger than the lattice spacing. It is found that the corresponding singularity spectrum…
Common fixed points in cone metric spaces for CJM-pairs
2011
Abstract In this paper we introduce some contractive conditions of Meir–Keeler type for two mappings, called f - M K -pair mappings and f - C J M -pair (from Ciric, Jachymski, and Matkowski) mappings, in the framework of regular cone metric spaces and we prove theorems which guarantee the existence and uniqueness of common fixed points. We give also a fixed point result for a multivalued mapping that satisfies a contractive condition of Meir–Keeler type. These results extend and generalize some recent results from the literature. To conclude the paper, we extend our main result to non-regular cone metric spaces by using the scalarization method of Du.
The Study of Carbamoyl Phosphate Synthetase 1 Deficiency Sheds Light on the Mechanism for Switching On/Off the Urea Cycle
2015
12 páginas, 4 figuras, 2 tablas.
Decipher the mechanisms of protein conformational changes induced by nucleotide binding through free-energy landscape analysis: ATP binding to Hsp70.
2013
ATP regulates the function of many proteins in the cell by transducing its binding and hydrolysis energies into protein conformational changes by mechanisms which are challenging to identify at the atomic scale. Based on molecular dynamics (MD) simulations, a method is proposed to analyze the structural changes induced by ATP binding to a protein by computing the effective free-energy landscape (FEL) of a subset of its coordinates along its amino-acid sequence. The method is applied to characterize the mechanism by which the binding of ATP to the nucleotide-binding domain (NBD) of Hsp70 propagates a signal to its substrate-binding domain (SBD). Unbiased MD simulations were performed for Hsp…