Search results for " Statistical"

showing 10 items of 1649 documents

Interface and Surface Properties of Short Polymers in Solution:  Monte Carlo Simulations and Self-Consistent Field Theory

2000

We investigate the structure and thermodynamics of inhomogeneous polymer solutions in the framework of a coarse-grained off-lattice model. Properties of the liquidvapor interface and the packing of...

Quantitative Biology::BiomoleculesMaterials sciencePolymers and PlasticsQuantum Monte CarloOrganic ChemistryMonte Carlo methodMonte Carlo method for photon transportCondensed Matter::Soft Condensed MatterInorganic ChemistryMaterials ChemistryDynamic Monte Carlo methodMonte Carlo method in statistical physicsKinetic Monte CarloDirect simulation Monte CarloStatistical physicsMonte Carlo molecular modelingMacromolecules
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Predicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs

2006

Existing Trichomonas vaginalis therapies are out of reach for most trichomoniasis people in developing countries and, where available, they are limited by their toxicity (mainly in pregnant women) and their cost. New antitrichomonal agents are needed to combat emerging metronidazole-resistant trichomoniasis and reduce the side effects associated with currently available drugs. Toward this end, atom-based bilinear indices, a new TOMOCOMD-CARDD molecular descriptor, and linear discriminant analysis (LDA) were used to discover novel, potent, and non-toxic lead trichomonacidal chemicals. Two discriminant functions were obtained with the use of non-stochastic and stochastic atom-type bilinear in…

Quantitative structure–activity relationshipDatabases FactualMolecular modelStereochemistryClinical BiochemistryDrug Evaluation PreclinicalPharmaceutical ScienceAntitrichomonal AgentsLigandsBiochemistryCross-validationChemometricsStructure-Activity Relationshipchemistry.chemical_compoundArtificial IntelligencePredictive Value of TestsMolecular descriptorDrug DiscoveryTrichomonas vaginalisAnimalsCluster AnalysisComputer SimulationMolecular BiologyStochastic ProcessesOrganic ChemistryComputational BiologyReproducibility of ResultsLinear discriminant analysisAntitrichomonal agentchemistryData Interpretation StatisticalTopological indexLinear ModelsMolecular MedicineBiological systemAlgorithmsBioorganic & Medicinal Chemistry
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Soliton Statistical Mechanics: Statistical Mechanics of the Quantum and Classical Integrable Models

1988

It is shown how the Bethe Ansatz (BA) analysis for the quantum statistical mechanics of the Nonlinear Schrodinger Model generalises to the other quantum integrable models and to the classical statistical mechanics of the classical integrable models. The bose-fermi equivalence of these models plays a fundamental role even at classical level. Two methods for calculating the quantum or classical free energies are developed: one generalises the BA method the other uses functional integral methods. The familiar classical action-angle variables of the integrable models developed for the real line R are used throughout, but the crucial importance of periodic boundary conditions is recognized and t…

Quantization (physics)Quantum dynamicsQuantum processMethod of quantum characteristicsQuantum inverse scattering methodQuantum statistical mechanicsQuantum dissipationQuantum chaosMathematical physicsMathematics
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Construction of pseudo-bosons systems

2010

In a recent paper we have considered an explicit model of a PT-symmetric system based on a modification of the canonical commutation relation. We have introduced the so-called {\em pseudo-bosons}, and the role of Riesz bases in this context has been analyzed in detail. In this paper we consider a general construction of pseudo-bosons based on an explicit {coordinate-representation}, extending what is usually done in ordinary supersymmetric quantum mechanics. We also discuss an example arising from a linear modification of standard creation and annihilation operators, and we analyze its connection with coherent states.

Quantum PhysicsComputer sciencequantum mechanicsCreation and annihilation operatorsFOS: Physical sciencesStatistical and Nonlinear PhysicsContext (language use)Mathematical Physics (math-ph)pseudo-bosonConnection (mathematics)Canonical commutation relationAlgebraCoherent statesSupersymmetric quantum mechanicsQuantum statistical mechanicsRepresentation (mathematics)Quantum Physics (quant-ph)Settore MAT/07 - Fisica MatematicaMathematical Physics
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Lévy walks and scaling in quenched disordered media.

2010

We study L\'evy walks in quenched disordered one-dimensional media, with scatterers spaced according to a long-tailed distribution. By analyzing the scaling relations for the random-walk probability and for the resistivity in the equivalent electric problem, we obtain the asymptotic behavior of the mean square displacement as a function of the exponent characterizing the scatterers distribution. We demonstrate that in quenched media different average procedures can display different asymptotic behavior. In particular, we estimate the moments of the displacement averaged over processes starting from scattering sites, in analogy with recent experiments. Our results are compared with numerical…

Quantum PhysicsDistribution (mathematics)Stochastic processScatteringElectrical resistivity and conductivityMathematical analysisExponentFunction (mathematics)ScalingCondensed Matter - Statistical MechanicsDisplacement (vector)MathematicsPhysical review. E, Statistical, nonlinear, and soft matter physics
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Fluctuation theorems for non-Markovian quantum processes

2013

Exploiting previous results on Markovian dynamics and fluctuation theorems, we study the consequences of memory effects on single realizations of nonequilibrium processes within an open system approach. The entropy production along single trajectories for forward and backward processes is obtained with the help of a recently proposed classical-like non-Markovian stochastic unravelling, which is demonstrated to lead to a correction of the standard entropic fluctuation theorem. This correction is interpreted as resulting from the interplay between the information extracted from the system through measurements and the flow of information from the environment to the open system: Due to memory e…

Quantum PhysicsFluctuation theorems non-Markovianity Open Quantum Systems Memory effects Entropy Quantum ThermodynamicsQuantum decoherenceStatistical Mechanics (cond-mat.stat-mech)Entropy productionFluctuation theoremFOS: Physical sciencesNon-equilibrium thermodynamicsMarkov processOpen system (systems theory)symbols.namesakesymbolsStatistical physicsQuantum Physics (quant-ph)QuantumEntropy (arrow of time)Condensed Matter - Statistical MechanicsMathematics
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Lévy flights in an infinite potential well as a hypersingular Fredholm problem.

2016

We study L\'evy flights {{with arbitrary index $0< \mu \leq 2$}} inside a potential well of infinite depth. Such problem appears in many physical systems ranging from stochastic interfaces to fracture dynamics and multifractality in disordered quantum systems. The major technical tool is a transformation of the eigenvalue problem for initial fractional Schr\"odinger equation into that for Fredholm integral equation with hypersingular kernel. The latter equation is then solved by means of expansion over the complete set of orthogonal functions in the domain $D$, reducing the problem to the spectrum of a matrix of infinite dimensions. The eigenvalues and eigenfunctions are then obtained numer…

Quantum PhysicsMathematical analysisSpectrum (functional analysis)Orthogonal functionsFredholm integral equationEigenfunctionParticle in a boxMathematics::Spectral Theory01 natural sciences010305 fluids & plasmasSchrödinger equationMathematics - Spectral Theorysymbols.namesakeSpectrum of a matrix0103 physical sciencessymbols010306 general physicsEigenvalues and eigenvectorsCondensed Matter - Statistical MechanicsMathematical PhysicsMathematics - ProbabilityMathematicsPhysical review. E
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Nonequilibrium dynamics of nonconservative diffusion processes

2023

Fokker-Planck operators of diffusion processes with nonconservative drift fields, in dimension $N\geq 2$, can be directly related with non-Hermitian electromagnetic-type Hamiltonian generators of motion. The induced nonequilibrium dynamics of probability densities points towards an issue of path integral solutions of the Fokker-Planck equation, and calls for revisiting links between known exact path integral formulas for quantum propagators in real and Euclidean time, with these for Fokker-Planck-induced transition probability density functions. In below we shall follow the $N=3$ "magnetic thread", within which one encounters formally and conceptually distinct implementations of the magneti…

Quantum PhysicsMathematics - Analysis of PDEsStatistical Mechanics (cond-mat.stat-mech)FOS: MathematicsFOS: Physical sciencesMathematical Physics (math-ph)Quantum Physics (quant-ph)Condensed Matter - Statistical MechanicsMathematical PhysicsAnalysis of PDEs (math.AP)
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Extracting work from random collisions: A model of a quantum heat engine

2022

We study the statistical distribution of the ergotropy and of the efficiency of a single-qubit battery ad of a single-qubit Otto engine, respectively fuelled by random collisions. The single qubit, our working fluid, is assumed to exchange energy with two reservoirs, a non-equilibrium "hot" reservoir and a zero temperature cold reservoir. The interactions between the qubit and the reservoirs is described in terms of a collision model of open system dynamics. The qubit interacts with the non-equilibrium reservoir (a large ensemble of qudits all prepared in the same pure state) via random unitary collisions and with the cold reservoir (a large ensemble of qubits in their ground state) via a p…

Quantum PhysicsRandom collisionsCold working; Engines; Ground stateStatistical Mechanics (cond-mat.stat-mech)Quantum ThermodynamicsFOS: Physical sciencesQuantum PhysicsQuantum Physics (quant-ph)Settore FIS/03 - Fisica Della MateriaCondensed Matter - Statistical MechanicsPhysical Review E
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Classical nature of ordered phases: origin of spontaneous symmetry breaking

2014

We investigate the nature of spontaneous symmetry breaking in complex quantum systems by conjecturing that the maximally symmetry breaking quantum ground states are the most classical ones corresponding to an ordered phase. We make this argument quantitatively precise by showing that the ground states which realize the maximum breaking of the Hamiltonian symmetries are the only ones that: I) are always locally convertible, i.e. can be obtained from all other ground states by local operations and classical communication, while the reverse is never possible; II) minimize the monogamy inequality for bipartite entanglement; III) minimize quantum correlations, as measured by the quantum discord,…

Quantum PhysicsStatistical Mechanics (cond-mat.stat-mech)FOS: Physical sciencesMathematical Physics (math-ph)Quantum Physics (quant-ph)Condensed Matter - Statistical MechanicsMathematical Physics
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