Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110783681
Category : Science
Languages : en
Pages : 345
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Book Description
Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 1107328144
Category : Technology & Engineering
Languages : en
Pages : 429
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Book Description
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
Author: Kaoru Ohno
Publisher: Springer Science & Business Media
ISBN: 3642598595
Category : Science
Languages : en
Pages : 336
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Book Description
Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Author: Ching-yao Fong
Publisher: World Scientific
ISBN: 9789810231491
Category : Technology & Engineering
Languages : en
Pages : 400
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Book Description
This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.
Author: Kholmirzo Kholmurodov
Publisher: Nova Science Publishers
ISBN: 9781634825412
Category : Science
Languages : en
Pages : 0
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Book Description
In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanoscale phenomena in the materials and life sciences. This book discusses modern molecular simulation methods for the study of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues. This book contains the Proceedings of the MSSMBS-2014 and DSCMBS-2014 International Workshops which have been organised by the Joint Institute for Nuclear Research, the Institute of Bioorganic Chemistry of the Russian Academy of Sciences and S.U. Umarov Physical-Technical Institute of the Academy of Sciences of the Republic of Tajikistan. The research topics discussed in the MSSMBS'14 & DSCMBS'14 International Workshops are as follows: computer molecular simulation methods and approaches; molecular dynamics and Monte-Carlo techniques; modelling of biological molecules; physical and biochemical systems; material fabrication and design; drug design in medicine; computational and computing physics, chemistry, biology and medicine; GPU accelerated molecular dynamics and related techniques.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309039282
Category : Technology & Engineering
Languages : en
Pages : 322
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Book Description
Materials science and engineering (MSE) contributes to our everyday lives by making possible technologies ranging from the automobiles we drive to the lasers our physicians use. Materials Science and Engineering for the 1990s charts the impact of MSE on the private and public sectors and identifies the research that must be conducted to help America remain competitive in the world arena. The authors discuss what current and future resources would be needed to conduct this research, as well as the role that industry, the federal government, and universities should play in this endeavor.
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110783622
Category : Technology & Engineering
Languages : en
Pages : 234
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Book Description
Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110752603
Category : Science
Languages : en
Pages : 192
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Book Description
Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward". This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Author: Artem Oganov
Publisher: Royal Society of Chemistry
ISBN: 1782629610
Category : Science
Languages : en
Pages : 470
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Book Description
A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309119995
Category : Technology & Engineering
Languages : en
Pages : 152
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Book Description
Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. Developing ICME is a grand challenge that could provide significant economic benefit. To help develop a strategy for development of this new technology area, DOE and DoD asked the NRC to explore its benefits and promises, including the benefits of a comprehensive ICME capability; to establish a strategy for development and maintenance of an ICME infrastructure, and to make recommendations about how best to meet these opportunities. This book provides a vision for ICME, a review of case studies and lessons learned, an analysis of technological barriers, and an evaluation of ways to overcome cultural and organizational challenges to develop the discipline.
