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  • Complete Guide to the Fragment Molecular Orbital Method in GAMESS

    From One Atom to a Million, at your Service

    The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments from quantum-chemical calculations, a bottomless treasure pit for data mining and machine learning. However, there is no user-friendly description of its usage in the widely employed quantum-chemical ... Leer más

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  • Numerical Methods

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    Numerical Methods using MATLAB, 3e, is an extensive reference offering hundreds of useful and important numerical algorithms that can be implemented into MATLAB for a graphical interpretation to help researchers analyze a particular outcome. Many worked examples are given together with exercises and solutions to illustrate how numerical methods can be used to study problems that have applications ... Leer más

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  • Quantum Computing for Computer Architects

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    Quantum computers can (in theory) solve certain problems far faster than a classical computer running any known classical algorithm. While existing technologies for building quantum computers are in their infancy, it is not too early to consider their scalability and reliability in the context of the design of large-scale quantum computers. To architect such systems, one must understand what it ... Leer más

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  • Dynamical Systems with Applications using Python

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  • Guide to Dynamic Simulations of Rigid Bodies and Particle Systems

    Series series Computer Science (R0)
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    Practical Multiscaling covers fundamental modelling techniques aimed at bridging diverse temporal and spatial scales ranging from the atomic level to a full-scale product level. It focuses on practical multiscale methods that account for fine-scale (material) details but do not require their precise resolution. The text material evolved from over 20 years of teaching experience at Rensselaer and ... Leer más

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  • Quantum Machine Learning with Python

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  • Multiscale Analysis of Deformation and Failure of Materials

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    Series Libro 5 - The Wiley Microsystem and Nanotechnology Series
    Presenting cutting-edge research and development within multiscale modeling techniques and frameworks, Multiscale Analysis of Deformation and Failure of Materials systematically describes the background, principles and methods within this exciting new & interdisciplinary field.The author’s approach emphasizes the principles and methods of atomistic simulation and its transition to the nano and sub ... Leer más

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  • Multiscale Structural Topology Optimization

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