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Big Data and High Performance Computing
Big Data has been much in the news in recent years, and the advantages conferred by the collection and analysis of large datasets in fields such as marketing, medicine and finance have led to claims that almost any real world problem could be solved if sufficient data were available. This is of course a very simplistic view, and the usefulness of collecting, processing and storing large datasets must always be seen in terms of the communication, processing and storage capabilities of the computing platforms available. This book presents papers from the International Research Workshop, Advanced High Performance Computing Systems, held in Cetraro, Italy, in July 2014. The papers selected for p...
Atomic-Scale Modelling of Electrochemical Systems
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of i...
Multifunctional Inorganic Nanomaterials for Energy Applications
Multifunctional Inorganic Nanomaterials for Energy Applications provides deep insight into the role of multifunctional nanomaterials in the field of energy and power generation applications. It mainly focuses on the synthesis, fabrication, design, development, and optimization of novel functional inorganic nanomaterials for energy storage and saving devices. It also covers studies of inorganic electrode materials for supercapacitors, membranes for batteries and fuel cells, and materials for display systems and energy generation. Features: Explores computational and experimental methods of preparing inorganic nanomaterials and their multifunctional applications Includes synthesis and performance analysis of various functional nanomaterials for energy storage and saving applications Reviews current research directions and latest developments in the field of energy materials Discusses importance of computational techniques in designing novel nanomaterials Highlights importance of multifunctional applications of nanomaterials in the energy sector This book is aimed at graduate students and researchers in materials science, electrical engineering, and nanomaterials.
Computational Simulation in Nanophotonics and Spectroscopy
Nanophotonics and spectroscopy has advanced rapidly in recent years. Experimental research on nanophotonics is very active. In addition to experimental research on the principles and applications of nanophotonics, computational simulation research on its various physical mechanisms and phenomena is equally important. The simulation of the optical properties of molecules or crystals, such as electronic spectra (absorption and emission spectra, etc.) and vibrational spectroscopy has extraordinary guiding significance for experiments. The current computational simulation technology can also explain and analyze the physical mechanisms behind phenomena. However, among the many computational simul...
Proceedings of 9th World Congress on Materials Science and Engineering 2017
June 12-14, 2017 Rome, Italy Key Topics : Materials Science and Engineering, Nanomaterials and Nanotechnology, Biomaterials and Medical Devices, Polymer Science and Technology, Electronic, Optical and Magnetic Materials, Emerging Smart Materials, Materials for Energy and Environmental Sustainability, Metals, Mettalurgy and Materials, Physics and Cemistry of Materials, Mechanics, Characterization Techniques and Equipments, Ceramics and Composite Materials, Entrepreneurs Investment Meet,
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Opportunities from the Integration of Simulation Science and Data Science
Convergence has been a key topic of discussion about the future of cyberinfrastructure for science and engineering research. Convergence refers both to the combined use of simulation and data-centric techniques in science and engineering research and the possibilities for a single type of cyberinfrastructure to support both techniques. The National Academies of Science, Engineering, and Medicine convened a Workshop on Converging Simulation and Data-Driven Science on May 10, 2018, in Washington, D.C. The workshop featured speakers from universities, national laboratories, technology companies, and federal agencies who addressed the potential benefits and limitations of convergence as they relate to scientific needs, technological capabilities, funding structures, and system design requirements. This publication summarizes the presentations and discussions from the workshop.
Computational Materials System Design
This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
