MARC details
| 000 -LEADER |
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| fixed length control field |
03344naaaa2200397uu 4500 |
| 001 - CONTROL NUMBER |
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| control field |
https://directory.doabooks.org/handle/20.500.12854/54574 |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20220714192736.0 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
978-2-88919-755-2 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9782889197552 |
| 024 7# - OTHER STANDARD IDENTIFIER |
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| Standard number or code |
10.3389/978-2-88919-755-2 |
| Terms of availability |
doi |
| 041 0# - LANGUAGE CODE |
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| Language code of text/sound track or separate title |
English |
| 042 ## - AUTHENTICATION CODE |
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| Authentication code |
dc |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
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| Personal name |
Simone Taioli |
| Relator code |
auth |
| 9 (RLIN) |
1617655 |
| 245 10 - TITLE STATEMENT |
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| Title |
New Frontiers in Multiscale Modelling of Advanced Materials |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Name of publisher, distributor, etc |
Frontiers Media SA |
| Date of publication, distribution, etc |
2016 |
| 300 ## - PHYSICAL DESCRIPTION |
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| Extent |
1 electronic resource (91 p.) |
| 506 0# - RESTRICTIONS ON ACCESS NOTE |
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| Terms governing access |
Open Access |
| Source of term |
star |
| Standardized terminology for access restriction |
Unrestricted online access |
| 520 ## - SUMMARY, ETC. |
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| Summary, etc |
Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense. |
| 540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE |
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| Terms governing use and reproduction |
Creative Commons |
| -- |
https://creativecommons.org/licenses/by/4.0/ |
| -- |
cc |
| -- |
https://creativecommons.org/licenses/by/4.0/ |
| 546 ## - LANGUAGE NOTE |
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| Language note |
English |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
molecular dynamics simulations |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Classical and Quantum Monte Carlo methods |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
ab-initio |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
macromolecular complex |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Materials characterization |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Multiscale and Hierarchical modeling |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
mechanical |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Electronic and optical properties of solids |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Carbon-based systems |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
materials growth |
| 653 ## - INDEX TERM--UNCONTROLLED |
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| Uncontrolled term |
Density-functional |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Maurizio Dapor |
| Relator code |
auth |
| 9 (RLIN) |
1617656 |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Nicola M. Pugno |
| Relator code |
auth |
| 9 (RLIN) |
1617657 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Host name |
www.oapen.org |
| Uniform Resource Identifier |
<a href="http://journal.frontiersin.org/researchtopic/3121/new-frontiers-in-multiscale-modelling-of-advanced-materials">http://journal.frontiersin.org/researchtopic/3121/new-frontiers-in-multiscale-modelling-of-advanced-materials</a> |
| -- |
0 |
| Public note |
DOAB: download the publication |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Host name |
www.oapen.org |
| Uniform Resource Identifier |
<a href="https://directory.doabooks.org/handle/20.500.12854/54574">https://directory.doabooks.org/handle/20.500.12854/54574</a> |
| -- |
0 |
| Public note |
DOAB: description of the publication |
