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Titlebook: Handbook of Materials Modeling; Applications: Curren Wanda Andreoni,Sidney Yip Living reference work 20200th edition Quantum Mechanics/ Mo

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發(fā)表于 2025-3-21 19:39:28 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱Handbook of Materials Modeling
副標題Applications: Curren
編輯Wanda Andreoni,Sidney Yip
視頻videohttp://file.papertrans.cn/422/421610/421610.mp4
概述The long-awaited updated edition of a classic reference work on materials modeling and simulation across length and time scales.Presents a definitive collection of articles on electronic-structure and
圖書封面Titlebook: Handbook of Materials Modeling; Applications: Curren Wanda Andreoni,Sidney Yip Living reference work 20200th edition  Quantum Mechanics/ Mo
描述.The Handbook of Materials Modeling, 2nd edition is a six-volume major reference serving a steadily growing community at the intersection of two mainstreams of global research: computational science and materials science and technology. This extensively expanded new edition reflects the significant developments in all aspects of computational materials research over the past decade, featuring progress in simulations at multiple scales and increasingly more realistic materials models. Thematically separated into two mutually dependent sets – “Methods: Theory and Modeling (MTM)” and “Applications: Current and Emerging Materials (ACE)” – the handbook runs the entire gamut from theory and methods to simulations and applications. Readers benefit from its in-depth coverage of a broad methodological spectrum extending from advanced atomistic simulations of rare events to data-driven artificial intelligence strategies for materials informatics in the set MTM, as well as forefront emphasis on materials of far-ranging societal importance such as photovoltaics and energy-relevant oxides, and cutting-edge applications to materials for spintronic devices, graphene, cement, and glasses in the se
出版日期Living reference work 20200th edition
關鍵詞Quantum Mechanics/ Molecular Mechanics (QM/MM); Time-Dependent Density Functional Theory (TDDFT); Mult
doihttps://doi.org/10.1007/978-3-319-50257-1
isbn_ebook978-3-319-50257-1
The information of publication is updating

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沙發(fā)
發(fā)表于 2025-3-21 22:26:26 | 只看該作者
David M. Leitnerogische Entit?t des M. Crohn infrage gestellt haben, so Allan 1988 (?Crohn’s disease proves in practice not to be a single disorder, the term covers a wide variety of disorders“; [1]) oder Lennard-Jones 1989 (?It is possible that the disorder we at present regard as Crohn’s disease may in the future
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發(fā)表于 2025-3-22 03:17:25 | 只看該作者
hasis on materials of far-ranging societal importance such as photovoltaics and energy-relevant oxides, and cutting-edge applications to materials for spintronic devices, graphene, cement, and glasses in the se978-3-319-50257-1
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Computational Fluid Dynamics of Catalytic Reactors,ters so that in general a careful experimental validation is required..This chapter introduces the application of CFD simulations in heterogeneous catalysis. Catalytic reactors can be classified by the geometrical design of the catalyst material (e.g. monoliths, particles, pellets, washcoats). Appro
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Thermal Transport by First-Principles Anharmonic Lattice Dynamics,apter will provide an overview of applications and methods for calculations of thermal conductivities beyond perfect infinite crystals (including phonon-defect scattering) and of other measured observables, including mean free path accumulation, linewidths, and densities of states from scattering ex
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Heat Transport in Insulators from Ab Initio Green-Kubo Theory,ression for the energy flux from Density-Functional Theory, from which the conductivity can be computed in practice. Second, a novel data analysis method based on the statistical theory of time series has been proposed, which allows one to considerably reduce the simulation time required to achieve
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