Computational materials science:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Amsterdam
Elsevier
2004
|
| Ausgabe: | 1st ed |
| Schriftenreihe: | Theoretical and computational chemistry
15 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. 1. Reviews of current computational methods applied in material science 2. Reviews of practical applications of modelling of structures and properties of materials 3. Cluster and periodical approaches Includes bibliographical references and index |
| Beschreibung: | 1 Online-Ressource (xiii, 457 p.) |
| ISBN: | 9780444513007 0444513000 9780080529639 0080529631 |
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| 500 | |a Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. 1. Reviews of current computational methods applied in material science 2. Reviews of practical applications of modelling of structures and properties of materials 3. Cluster and periodical approaches | ||
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| indexdate | 2024-07-10T01:18:09Z |
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| isbn | 9780444513007 0444513000 9780080529639 0080529631 |
| language | English |
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| series2 | Theoretical and computational chemistry |
| spelling | Computational materials science edited by Jerzy Leszczynski 1st ed Amsterdam Elsevier 2004 1 Online-Ressource (xiii, 457 p.) txt rdacontent c rdamedia cr rdacarrier Theoretical and computational chemistry 15 Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. 1. Reviews of current computational methods applied in material science 2. Reviews of practical applications of modelling of structures and properties of materials 3. Cluster and periodical approaches Includes bibliographical references and index TECHNOLOGY & ENGINEERING / Material Science bisacsh Mathematisches Modell Materials science Mathematical models Materials science Computer simulation Leszczynski, Jerzy Sonstige oth http://www.sciencedirect.com/science/book/9780444513007 Verlag Volltext |
| spellingShingle | Computational materials science TECHNOLOGY & ENGINEERING / Material Science bisacsh Mathematisches Modell Materials science Mathematical models Materials science Computer simulation |
| title | Computational materials science |
| title_auth | Computational materials science |
| title_exact_search | Computational materials science |
| title_full | Computational materials science edited by Jerzy Leszczynski |
| title_fullStr | Computational materials science edited by Jerzy Leszczynski |
| title_full_unstemmed | Computational materials science edited by Jerzy Leszczynski |
| title_short | Computational materials science |
| title_sort | computational materials science |
| topic | TECHNOLOGY & ENGINEERING / Material Science bisacsh Mathematisches Modell Materials science Mathematical models Materials science Computer simulation |
| topic_facet | TECHNOLOGY & ENGINEERING / Material Science Mathematisches Modell Materials science Mathematical models Materials science Computer simulation |
| url | http://www.sciencedirect.com/science/book/9780444513007 |
| work_keys_str_mv | AT leszczynskijerzy computationalmaterialsscience |