77 Results for : atomistic

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    The Atomistic Nature of Crystal Growth ab 219.99 € als Taschenbuch: Softcover reprint of hardcover 1st ed. 2001. Aus dem Bereich: Bücher, Taschenbücher, Naturwissenschaft,
    • Shop: hugendubel
    • Price: 219.99 EUR excl. shipping
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    Atomistic Simulations of Glasses: Fundamentals and Applications ab 178.99 € als gebundene Ausgabe: Fundamentals and Applications. Aus dem Bereich: Bücher, Wissenschaft, Chemie,
    • Shop: hugendubel
    • Price: 178.99 EUR excl. shipping
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    Atomistic Approaches in Modern Biology ab 427.99 € als Taschenbuch: From Quantum Chemistry to Molecular Simulations. Softcover reprint of hardcover 1st ed. 2007. Aus dem Bereich: Bücher, Taschenbücher, Naturwissenschaft,
    • Shop: hugendubel
    • Price: 427.99 EUR excl. shipping
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    Atomistic Approaches in Modern Biology ab 415.99 € als pdf eBook: From Quantum Chemistry to Molecular Simulations. Aus dem Bereich: eBooks, Fachthemen & Wissenschaft, Wissenschaften allgemein,
    • Shop: hugendubel
    • Price: 415.99 EUR excl. shipping
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    Atomistic Simulation of Anistropic Crystal Structures at Nanoscale ab 128.99 € als gebundene Ausgabe: . Aus dem Bereich: Bücher, Ratgeber, Computer & Internet,
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    • Price: 128.99 EUR excl. shipping
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    Atomistic and Continuum Modeling of Nanocrystalline Materials ab 254.99 € als gebundene Ausgabe: Deformation Mechanisms and Scale Transition. Auflage 2009. Aus dem Bereich: Bücher, Wissenschaft, Technik,
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    • Price: 254.99 EUR excl. shipping
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    Atomistic View of Mineral-adsorbate Interface ab 67.99 € als Taschenbuch: Investigation of Fluorapatite (100) Surface and its Interface with Biomolecules Using Grazing Incidence X-ray Diffraction. Aus dem Bereich: Bücher, Wissenschaft, Physik,
    • Shop: hugendubel
    • Price: 67.99 EUR excl. shipping
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    Atomistic and Continuum Modeling of Nanocrystalline Materials ab 213.99 € als pdf eBook: Deformation Mechanisms and Scale Transition. Aus dem Bereich: eBooks, Sachthemen & Ratgeber, Technik,
    • Shop: hugendubel
    • Price: 213.99 EUR excl. shipping
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    Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials.The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.
    • Shop: buecher
    • Price: 69.99 EUR excl. shipping
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    Electrochemistry is an old branch of physical chemistry. Due to the development of surface sensitive techniques, and a technological interest in fuel cells and batteries, it has recently undergone a rapid development. This textbook treats the field from a modern, atomistic point of view while integrating the older, macroscopic concepts. The increasing role of theory is reflected in the presentation of the basic ideas in a way that should appeal to experimentalists and theorists alike. Special care is taken to make the subject comprehensible to scientists from neighboring disciplines, especially from surface science. The book is suitable for an advanced course at the master or Ph.D. level, but should also be useful for practicing electrochemists, as well as to any scientist who wants to understand modern electrochemistry.
    • Shop: buecher
    • Price: 39.99 EUR excl. shipping


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