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The mechanism of the curing reaction between ethylene oxide as a typical epoxy function and tryptophan as an environmentally friendly curing agent was investigated by density functional theory (DFT). A transition state was identified in... more
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    • THEORETICAL AND COMPUTATIONAL CHEMISTRY
Three homologous series of siliceous meso-cellular foams (MCFs) were synthesized using microemulsion templating by incremental variation of ratio of organic pore expander, trimethyl benzene (TMB), and silica precursor (TEOS)... more
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    • Engineering
Infrared (IR) and ultraviolet (UV) spectroscopic analysis of eight structural isomers of C20 carbon nanostructures, i.e. ring, tadpole, bow-tie, dumb-bell, spiro, propellane, bowl and cage, were performed at different levels of theory... more
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Most of the linear statistics deal with data lying in a Euclidean space. However, there are many examples, such as DNA molecule topological structures, in which the initial or the transformed data lie in a non-Euclidean space. To get a... more
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      Nonlinear static & dynamic analysisStatistical Shape AnalysisPrincipal Geodesic Analysis
One of the typical aims of statistical shape analysis, in addition to deriving an estimate of mean shape, is to get an estimate of shape variability. This aim is achieved through employing the principal component analysis. Because the... more
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      Image ProcessingData Science
Among many algorithms, gradient descent algorithm (GDA) is a simple tool to derive an optimal quantity in dealing with an optimization problem in the linear space. Apart from the initial value, the step size has a great impact on the... more
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We study entanglement Hamiltonian (EH) associated with the reduced density matrix of free fermion models in delocalized-localized Anderson phase transition. We show numerically that the structure of the EH matrix differentiates the... more
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We calculate numerically the entanglement entropy of free fermion ground states in one-, two- and three-dimensional Anderson models, and find that it obeys the area law as long as the linear size of the subsystem is sufficiently larger... more
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    •   2  
      PhysicsCondensed Matter Physics
We introduce novel characterizations for many body phase transitions between delocalized and localized phases based on the system's sensitivity to the boundary conditions. In particular, we change single-particle boundary conditions... more
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    • Physics
We study the fractal properties of single-particle eigen-modes of entanglement Hamiltonian in free fermion models. One of these modes that has the highest entanglement information and thus called maximally entangled mode (MEM) is... more
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    • Physics
We study in this work the ground state entanglement properties of finite XX spin-1/2 chains with random couplings, using Jordan-Wigner transformation. We divide the system into two parts and study reduced density matrices (RDMs) of its... more
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      PhysicsQuantum Mechanics
We study in this work the ground state entanglement properties of two models of non-interacting fermions moving in one-dimension (1D), that exhibit metal-insulator transitions. We find that entanglement entropy grows either... more
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      PhysicsCondensed Matter PhysicsQuantum Mechanics
The one-dimensional free Fermi gas is a prototype conformally invariant system, whose entanglement properties are well-understood. In this work, the effects of a single impurity on one dimensional free fermion entanglement entropy are... more
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    • Physics
We examine the real space renormalization group method of finding excited eigenstate (RSRG-X) of the XX spin-1/2 chain, from entanglement perspectives. Eigenmodes of entanglement Hamiltonian, especially the maximally entangled mode and... more
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    •   2  
      PhysicsQuantum Mechanics
Sensitivity of entanglement Hamiltonian spectrum to boundary conditions is considered as a phase detection parameter for delocalized-localized phase transition. By employing one-dimensional models that undergo delocalized-localized phase... more
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    • Physics
Single-particle entanglement entropy (SPEE) is calculated for entanglement Hamiltonian eigenmode in a one-dimensional free fermion model that undergoes a delocalized–localized phase transition. In this numerical study, we show that SPEE... more
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      PhysicsQuantum Mechanics
Entanglement properties of random XX spin 1/2 chain are studied using the random partitioning, in which, sites of the subsystem are chosen randomly with a probability, also the subsystem size varies, and we properly take average over all... more
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    • Physics
A characterization of the Anderson phase transition has been introduced, based on the response of the system to the boundary conditions. We change the boundary conditions from periodic to anti-periodic and look for its effect on the... more
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    •   2  
      PhysicsEigenvalues and Eigenvectors
Entanglement properties of disordered free fermion systems that have Anderson phase transition between delocalized and localized phases are studied using random bi-partitioning. We use entanglement entropy as a measure to quantify... more
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    •   2  
      PhysicsStatistical Physics
A new characterization of the Anderson phase transition, based on the response of the system to the boundary conditions is introduced. We change the boundary conditions from periodic to antiperiodic and look for its effects on the... more
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    •   2  
      PhysicsEigenvalues and Eigenvectors