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« nipu kumar das »

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  • Quantum Chemical and Molecular Dynamics Simulations for Beginners

    par Dhirendra Kumar Mishra, Nabendu Paul, Nipu Kumar Das, Nikhil Kumar, Tamal Banerjee ...
    This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. The journey continues with a comprehensive examination of transition state ... En savoir plus

    $107.99 CAD

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  • Quantum Computing for Computer Architects

    Second Edition

    par Tzvetan S. Metodi, Arvin I. Faruque, Frederic T. Chong ...
    Collections series Synthesis Lectures on Computer Architecture
    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 ... En savoir plus

    $56.99 CAD

  • Quantum ESPRESSO Course for Solid-State Physics

    par Nguyen Tuan Hung, Ahmad R.T. Nugraha, Riichiro Saito ...
    This book is a hands-on tutorial for using Quantum ESPRESSO, which is an open software of first-principles calculation for the electronic structure of materials. When we design a new material, the electronic-structure calculation is essential to discuss the origin of the physical properties of the material. Nowadays, many researchers can run Quantum ESPRESSO on personal computers without paying ... En savoir plus

    $206.99 CAD

  • Understanding Voltammetry: Simulation Of Electrode Processes

    par Eduardo Laborda, Kristopher R Ward, Richard Guy Compton ...
    This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and micro-electrodes are examined and the simulation of both diffusion-only and diffusion-convection processes are addressed. The simulation of processes with coupled homogeneous kinetics and at microelectrode arrays ... En savoir plus

    $28.99 CAD

  • Quantum Chemistry and Computing for the Curious

    Illustrated with Python and Qiskit® code

    par Alex Khan, Keeper Layne Sharkey, Alain Chancé ...
    Acquire knowledge of quantum chemistry concepts, the postulates of quantum mechanics, and the foundations of quantum computing, and execute illustrations made with Python code, Qiskit, and open-source quantum chemistry packagesKey FeaturesBe at the forefront of a quest for increased accuracy in chemistry applications and computingGet familiar with some open source quantum chemistry packages to run ... En savoir plus

    $35.99 CAD ou Gratuit avec Kobo Plus

  • Complete Guide to the Fragment Molecular Orbital Method in GAMESS

    From One Atom to a Million, at your Service

    par Dmitri G Fedorov ...
    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 ... En savoir plus

    $103.99 CAD

  • Multiscale Analysis of Deformation and Failure of Materials

    par Jinghong Fan ...
    Collections Livre 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 ... En savoir plus

    $142.99 CAD

  • Quantum Chemistry in the Age of Machine Learning

    Modifié par Pavlo O. Dral ...
    Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable ... En savoir plus

    $194.99 CAD

  • Python for Chemistry

    An introduction to Python algorithms, Simulations, and Programing for Chemistry (English Edition)

    par Dr. M. Kanagasabapathy ...
    Python is a versatile and powerful computer language without a steep learning curve. It can be deployed to simulate various physicochemical parameters or to analyze complex molecular, bio-molecular, and crystalline structures. The objective of this book is to give a gentle introduction to Python programming with relevant algorithms, iterations, and basic simulations from a chemist’s perspective. ... En savoir plus

    $21.99 CAD ou Gratuit avec Kobo Plus

  • Product and Process Modelling

    A Case Study Approach

    par Ian T. Cameron, Rafiqul Gani ...
    This book covers the area of product and process modelling via a case study approach. It addresses a wide range of modelling applications with emphasis on modelling methodology and the subsequent in-depth analysis of mathematical models to gain insight via structural aspects of the models. These approaches are put into the context of life cycle modelling, where multiscale and multiform modelling ... En savoir plus

    $108.99 CAD

  • Computational Thermo-Fluid Dynamics

    In Materials Science and Engineering

    par Petr A. Nikrityuk ...
    Combining previously unconnected computational methods, this monograph discusses the latest basic schemes and algorithms for the solution of fluid, heat and mass transfer problems coupled with electrodynamics. It presents the necessary mathematical background of computational thermo-fluid dynamics, the numerical implementation and the application to real-world problems. Particular emphasis is ... En savoir plus

    $151.99 CAD

  • Nanoinformatics

    Modifié par Isao Tanaka ...
    Collections series Chemistry and Material Science (R0)
    This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in ... En savoir plus

    Gratuit