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1 - 12 de 12 resultados para “apj jansen”
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  • An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions

    de A.P.J. Jansen ...
    Series series Physics and Astronomy (R0)
    Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the ... Leer más

    $58.99 USD

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  • Computer Simulation Tools for X-ray Analysis

    Scattering and Diffraction Methods

    de Sérgio Luiz Morelhão ...
    Series series Physics and Astronomy (R0)
    This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides ... Leer más

    $71.99 USD

  • Dynamics of Glassy, Crystalline and Liquid Ionic Conductors

    Experiments, Theories, Simulations

    de Junko Habasaki, Carlos Leon, K.L. Ngai ...
    Series series Physics and Astronomy (R0)
    This book discusses the physics of the dynamics of ions in various ionically conducting materials, and applications including electrical energy generation and storage. The experimental techniques for measurements and characterization, molecular dynamics simulations, the theories of ion dynamics, and applications are all addressed by the authors, who are experts in their fields. The experimental ... Leer más

    $170.99 USD

  • Density Functional Theory in Quantum Chemistry

    de Takao Tsuneda ...
    Series series Chemistry and Material Science (R0)
    In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book ... Leer más

    $143.99 USD

  • Dynamical Heterogeneities in Glasses, Colloids, and Granular Media

    Edición de Ludovic Berthier, Giulio Biroli, Jean-Philippe Bouchaud, Luca Cipelletti, Wim van Saarloos ...
    Series Libro 150 - International Series of Monographs on Physics
    Most of the solid materials we use in everyday life, from plastics to cosmetic gels exist under a non-crystalline, amorphous form: they are glasses. Yet, we are still seeking a fundamental explanation as to what glasses really are and to why they form. In this book, we survey the most recent theoretical and experimental research dealing with glassy physics, from molecular to colloidal glasses and ... Leer más

    $97.99 USD

  • Time-Dependent Density-Functional Theory

    Concepts and Applications

    de Carsten A. Ullrich ...
    Series series Oxford Graduate Texts
    Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the ... Leer más

    $32.99 USD

  • Trends in Computational Nanomechanics

    Transcending Length and Time Scales

    Edición de Traian Dumitrica ...
    Series Libro 9 - Challenges and Advances in Computational Chemistry and Physics
    Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying ... Leer más

    $287.99 USD

  • Ion Correlations at Electrified Soft Matter Interfaces

    de Nouamane Laanait ...
    Series series Physics and Astronomy (R0)
    Ion Correlations at Electrified Soft Matter Interfaces presents an investigation that combines experiments, theory, and computer simulations to demonstrate that the interdependency between ion correlations and other ion interactions in solution can explain the distribution of ions near an electrified liquid/liquid interface. The properties of this interface are exploited to vary the coupling ... Leer más

    $89.99 USD

  • Colloidal Dispersions Under Slit-Pore Confinement

    de Yan Zeng ...
    Series series Physics and Astronomy (R0)
    This dissertation contributes to the understanding of fundamental issues in the highly interdisciplinary field of colloidal science. Beyond colloid science, the system also serves as a model for studying interactions in biological matter.This work quantitatively investigated the scaling laws of the characteristic lengths of the structuring of colloidal dispersions and tested the generality of ... Leer más

    $89.99 USD

  • The Nature of the Hydrogen Bond

    Outline of a Comprehensive Hydrogen Bond Theory

    de Gastone Gilli, Paola Gilli ...
    Series Libro 23 - International Union of Crystallography Monographs on Crystallography
    Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very ... Leer más

    $60.99 USD

  • The Augmented Spherical Wave Method

    A Comprehensive Treatment

    de Volker Eyert ...
    Series series Physics and Astronomy (R0)
    The Augmented Spherical Wave (ASW) method is one of the most powerful approaches to handle the requirements of finite basis sets in DFT calculations. It is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials. Recent developments allow application, in addition, to the elastic properties and phonon spectra. Due to the localized nature ... Leer más

    $49.49 USD

  • Energy Level Alignment and Electron Transport Through Metal/Organic Contacts

    From Interfaces to Molecular Electronics

    de Enrique Abad ...
    Series series Physics and Astronomy (R0)
    In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them ... Leer más

    $89.99 USD