Computational Modeling of Spintronic Materials

Computational Modeling of Spintronic Materials

Author: Xiaotian Wang

Publisher: Frontiers Media SA

Published: 2021-03-03

Total Pages: 151

ISBN-13: 2889664864

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Book Synopsis Computational Modeling of Spintronic Materials by : Xiaotian Wang

Download or read book Computational Modeling of Spintronic Materials written by Xiaotian Wang and published by Frontiers Media SA. This book was released on 2021-03-03 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Applied Computational Materials Modeling

Applied Computational Materials Modeling

Author: Guillermo Bozzolo

Publisher: Springer Science & Business Media

Published: 2007-12-19

Total Pages: 502

ISBN-13: 0387345655

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The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.


Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo

Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer Science & Business Media. This book was released on 2007-12-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.


Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry

Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry

Author: Kurt Wuthrich

Publisher: World Scientific

Published: 2020-12-21

Total Pages: 372

ISBN-13: 9811228221

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Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.


Book Synopsis Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry by : Kurt Wuthrich

Download or read book Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry written by Kurt Wuthrich and published by World Scientific. This book was released on 2020-12-21 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.


Computational Modeling of Inorganic Nanomaterials

Computational Modeling of Inorganic Nanomaterials

Author: Stefan T. Bromley

Publisher: CRC Press

Published: 2016-04-06

Total Pages: 423

ISBN-13: 1466576448

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Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems. Divided into three sections, the book first covers different types of inorganic nanosystems with increasing dimensionality. The second section explains how to computationally describe properties and phenomena associated with inorganic nanomaterials, including the modeling of melting and phase transitions, crystallization, and thermal, mechanical, optical, and excited state properties. The final section highlights a diverse range of important recent case studies of systems where modeling the properties and structures of inorganic nanomaterials is fundamental to their understanding. These case studies illustrate the use of computational techniques to model nanostructures in a range of applications and environments, from heterogeneous catalysis to astrochemistry. Largely due to their extremely reduced dimensions, inorganic nanomaterials are difficult to characterize accurately in experiments. Computational modeling, therefore, often provides unrivaled, detailed insights to complement and guide experimental research on these small-scale materials. This book shows how computational modeling is critical for understanding inorganic nanomaterials and their future development.


Book Synopsis Computational Modeling of Inorganic Nanomaterials by : Stefan T. Bromley

Download or read book Computational Modeling of Inorganic Nanomaterials written by Stefan T. Bromley and published by CRC Press. This book was released on 2016-04-06 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems. Divided into three sections, the book first covers different types of inorganic nanosystems with increasing dimensionality. The second section explains how to computationally describe properties and phenomena associated with inorganic nanomaterials, including the modeling of melting and phase transitions, crystallization, and thermal, mechanical, optical, and excited state properties. The final section highlights a diverse range of important recent case studies of systems where modeling the properties and structures of inorganic nanomaterials is fundamental to their understanding. These case studies illustrate the use of computational techniques to model nanostructures in a range of applications and environments, from heterogeneous catalysis to astrochemistry. Largely due to their extremely reduced dimensions, inorganic nanomaterials are difficult to characterize accurately in experiments. Computational modeling, therefore, often provides unrivaled, detailed insights to complement and guide experimental research on these small-scale materials. This book shows how computational modeling is critical for understanding inorganic nanomaterials and their future development.


Handbook of Materials Modeling

Handbook of Materials Modeling

Author: Wanda Andreoni

Publisher: Springer

Published: 2020-03-31

Total Pages: 2897

ISBN-13: 9783319446790

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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 set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling’s standing as an enduring source of learning and inspiration for a global community of computational materials scientists.


Book Synopsis Handbook of Materials Modeling by : Wanda Andreoni

Download or read book Handbook of Materials Modeling written by Wanda Andreoni and published by Springer. This book was released on 2020-03-31 with total page 2897 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling’s standing as an enduring source of learning and inspiration for a global community of computational materials scientists.


Spintronics in Nanoscale Devices

Spintronics in Nanoscale Devices

Author: Eric R. Hedin

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 213

ISBN-13: 9814411701

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By exploiting the novel properties of quantum dots and nanoscale Aharonov-Bohm rings together with the electronic and magnetic properties of various semiconductor materials and graphene, researchers have conducted numerous theoretical and computational modeling studies and experimental tests that show promising behavior for spintronics applications


Book Synopsis Spintronics in Nanoscale Devices by : Eric R. Hedin

Download or read book Spintronics in Nanoscale Devices written by Eric R. Hedin and published by CRC Press. This book was released on 2016-04-19 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: By exploiting the novel properties of quantum dots and nanoscale Aharonov-Bohm rings together with the electronic and magnetic properties of various semiconductor materials and graphene, researchers have conducted numerous theoretical and computational modeling studies and experimental tests that show promising behavior for spintronics applications


Handbook of Materials Modeling

Handbook of Materials Modeling

Author: Wanda Andreoni

Publisher: Springer

Published: 2020-03-27

Total Pages: 0

ISBN-13: 9783319469713

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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 set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling’s standing as an enduring source of learning and inspiration for a global community of computational materials scientists.


Book Synopsis Handbook of Materials Modeling by : Wanda Andreoni

Download or read book Handbook of Materials Modeling written by Wanda Andreoni and published by Springer. This book was released on 2020-03-27 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling’s standing as an enduring source of learning and inspiration for a global community of computational materials scientists.


Computational Modelling of Molecular Nanomagnets

Computational Modelling of Molecular Nanomagnets

Author: Gopalan Rajaraman

Publisher: Springer Nature

Published:

Total Pages: 507

ISBN-13: 3031310381

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Book Synopsis Computational Modelling of Molecular Nanomagnets by : Gopalan Rajaraman

Download or read book Computational Modelling of Molecular Nanomagnets written by Gopalan Rajaraman and published by Springer Nature. This book was released on with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Spin Dynamics in Two-Dimensional Quantum Materials

Spin Dynamics in Two-Dimensional Quantum Materials

Author: Marc Vila Tusell

Publisher: Springer Nature

Published: 2021-11-10

Total Pages: 169

ISBN-13: 3030861147

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This thesis focuses on the exploration of nontrivial spin dynamics in graphene-based devices and topological materials, using realistic theoretical models and state-of-the-art quantum transport methodologies. The main outcomes of this work are: (i) the analysis of the crossover from diffusive to ballistic spin transport regimes in ultraclean graphene nonlocal devices, and (ii) investigation of spin transport and spin dynamics phenomena (such as the (quantum) spin Hall effect) in novel topological materials, such as monolayer Weyl semimetals WeTe2 and MoTe2. Indeed, the ballistic spin transport results are key for further interpretation of ultraclean spintronic devices, and will enable extracting precise values of spin diffusion lengths in diffusive transport and guide experiments in the (quasi)ballistic regime. Furthermore, the thesis provides an in-depth theoretical interpretation of puzzling huge measured efficiencies of the spin Hall effect in MoTe2, as well as a prediction of a novel canted quantum spin Hall effect in WTe2 with spins pointing in the yz plane.


Book Synopsis Spin Dynamics in Two-Dimensional Quantum Materials by : Marc Vila Tusell

Download or read book Spin Dynamics in Two-Dimensional Quantum Materials written by Marc Vila Tusell and published by Springer Nature. This book was released on 2021-11-10 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis focuses on the exploration of nontrivial spin dynamics in graphene-based devices and topological materials, using realistic theoretical models and state-of-the-art quantum transport methodologies. The main outcomes of this work are: (i) the analysis of the crossover from diffusive to ballistic spin transport regimes in ultraclean graphene nonlocal devices, and (ii) investigation of spin transport and spin dynamics phenomena (such as the (quantum) spin Hall effect) in novel topological materials, such as monolayer Weyl semimetals WeTe2 and MoTe2. Indeed, the ballistic spin transport results are key for further interpretation of ultraclean spintronic devices, and will enable extracting precise values of spin diffusion lengths in diffusive transport and guide experiments in the (quasi)ballistic regime. Furthermore, the thesis provides an in-depth theoretical interpretation of puzzling huge measured efficiencies of the spin Hall effect in MoTe2, as well as a prediction of a novel canted quantum spin Hall effect in WTe2 with spins pointing in the yz plane.


Handbook of Materials Modeling

Handbook of Materials Modeling

Author: Sidney Yip

Publisher: Springer Science & Business Media

Published: 2007-11-17

Total Pages: 2903

ISBN-13: 1402032862

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The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.


Book Synopsis Handbook of Materials Modeling by : Sidney Yip

Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.