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Combinatorial Optimization and the Physics of Disordered Systems
The purpose of this chapter of this monograph is to confront the reader with a number of optimization algorithms that are exact and polynomial in...
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Ergodicity, Replica Symmetry, Spin Glass and Quantum Phase Transition
This pedagogical lecture note is aimed at a tutorial introduction to the essential concepts of spin glass with a focus on quantum spin glass in order...
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Decoherence and Quantum Couplings in a Noisy Environment
In this chapter, I will review the established theory of quantum systems coupled to noisy condensed-phase environments, emphasising the central role...
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Analytical Ultracentrifuge for the Characterization of Detergent in Solution
We have characterized the hydrodynamic behaviour in H 2 O and D2O of two detergents, dodecyl-β-D-maltoside...
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Analytical Ultracentrifugation Studies of the Influenza M2 Homotetramerization Equilibrium in Detergent Solutions
Though much progress has been made in the field of membrane protein folding, there is still much to learn about the association of transmembrane...
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Self-Association of Phosphorylase Kinase under Molecular Crowding Conditions
Self-association of phosphorylase kinase (PhK) has been studied using analytical ultracentrifugation and dynamic light scattering under the...
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Molecular Properties and Electrostatic Interactions of Linear Poly(allylamine hydrochloride) Chains
The efficiency of two azoinitiators in the polymerization of allylamine salts in water and organic solvents was studied comparatively....
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Oligomerization of Hydroperoxide Lyase, a Novel P450 Enzyme in Plants
The oligomeric state of fatty acid hydroperoxide lyase (HPL), of molar mass ∼55 kDa is uncertain and it has been reported as a trimer or tetramer...
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Aggregation of Dibutyl Phthalate Molecules in Decalin Solutions Evidenced by Hydrodynamic and Optical Measurements
Hydrodynamic and optical investigations were performed on the binary dibutyl phthalate (DBP)-decalin liquid mixtures with the DBP content varying...
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Ab initio and Constrained Modeling of Phosphorylase
The joint use of small-angle X-ray scattering (SAXS) and hydrodynamic data permits biologically useful reconstructions of protein structures to be...
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Empirical Molecular Dynamics: Possibilities, Requirements, and Limitations
Classical molecular dynamics enables atomistic structure simulations of nanoscopic systems to be made. The method is extremely powerful in solving...
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Light Induced Effects in Amorphous and Glassy Solids
In this Chapter, we discuss how exposure to light can affect the properties of disordered materials and review our recent computational studies of...
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Multiscale Modeling of Defectsin Semiconductors:A Novel Molecular-Dynamics Scheme
Now that the modeling of simple semiconductor systems has become reliable, accurate and routine, attention is focusing on larger scale, more complex...
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Defect Theory: An Armchair History
This introductory chapter begins with a summary of the developments of the theory of defects in semiconductors in the past 50 years. This is followed...
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Dynamical Matrices and Free Energies
The calculation of the entire dynamical matrix of a periodic supercell (containing a defect or not) provides several most useful pieces of...
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Supercell Methods for Defect Calculations
Periodic boundary conditions enable fast density-functional-based calculations for defects and their complexes in semiconductors. Such calculations...
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Defects in Amorphous Semiconductors: Amorphous Silicon
Defects in disordered (amorphous) semiconductors are discussed, with an emphasis on hydrogenated amorphous silicon. The general differences between...
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Fabrication and Characterization of Rare Earth Scandate Thin Films Prepared by Pulsed Laser Deposition
The continuous structure size reduction in semiconductor technology is leading to a considerable attention for advanced high-κ dielectrics. The rare...
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Finding Exponential Product Formulas of Higher Orders
In the present article, we review the progress in the last two decades of the work on the Suzuki-Trotter decomposition, or the exponential product...
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Exploring Complex Landscapes with Classical Monte Carlo
Nowadays, the annealing concept is useful in (at least) two different fields, namely Physics and Optimization. The annealing strategy was well known...