Multiscale simulation methods for nanomaterials:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Hoboken, N.J.
Wiley-Interscience
c2008
|
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references and index Overview of multiscale simulation methods for materials / Sanat Mohanty and Richard B. Ross -- Influence of water and fatty acid molecules on quantum photoinduced electron tunneling in self-assembled photosynthetic centers of minimal protocells / A. Tamulis ... [et al.] -- Optimizing the electronic properties of carbon nanotubes using amphoteric doping / Bobby G. Sumpter and Vincent Meunier -- Using order and nanoconfinement to tailor semiconducting polymers: a combined experimental and multiscale computational study / Michael L. Drummond ... [et al.] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen ... [et al.] -- Microscopic insights into the dynamics of protein-solvent mixtures / Taner E. Dirama and Gustavo A. Carri -- Mesoscale simulations of surface-modified nanospheres in solvents / Sanat Mohanty -- Fixing interatomic potentials using multiscale modeling: ad hoc schemes for coupling atomic and continuum simulations / Clifford W. Padgett ... [et al.] -- Fully analytic implementation of density functional theory for efficient calculations on large molecules / Rajendra R. Zope and Brett I. Dunlap -- Aluminum nanoparticles: accurate potential energy functions and physical properties / Nathan E. Schultz ... [et al.] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty ... [et al.] -- New QM/MM models for multiscale simulation of phosphoryl transfer reactions in solution / Kwangho Nam, Jiali Gao and Darrin M. York -- Modeling the thermal decomposition of large molecules and nanostructures / Marc R. Nyden, Stanislav I. Stoliarov and Vadim D. Knyazev -- Predicting dynamic mesoscale structure of commercially relevant surfactant solutions / Fiona Case Explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings. This book provides an overview of the methods for providing atomistic simulation of a range of materials using our understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena |
| Beschreibung: | 1 Online-Ressource (xiv, 275 p., [8] p. of plates) |
| ISBN: | 047019166X 9780470191668 |
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Datensatz im Suchindex
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| dewey-full | 620.1/1 |
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| id | DE-604.BV043151701 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:19:03Z |
| institution | BVB |
| isbn | 047019166X 9780470191668 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028575892 |
| oclc_num | 608622331 |
| open_access_boolean | |
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| owner_facet | DE-1046 DE-1047 |
| physical | 1 Online-Ressource (xiv, 275 p., [8] p. of plates) |
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| publishDateSearch | 2008 |
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| publisher | Wiley-Interscience |
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| spelling | Multiscale simulation methods for nanomaterials edited by Richard B. Ross, Sanat Mohanty Hoboken, N.J. Wiley-Interscience c2008 1 Online-Ressource (xiv, 275 p., [8] p. of plates) txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references and index Overview of multiscale simulation methods for materials / Sanat Mohanty and Richard B. Ross -- Influence of water and fatty acid molecules on quantum photoinduced electron tunneling in self-assembled photosynthetic centers of minimal protocells / A. Tamulis ... [et al.] -- Optimizing the electronic properties of carbon nanotubes using amphoteric doping / Bobby G. Sumpter and Vincent Meunier -- Using order and nanoconfinement to tailor semiconducting polymers: a combined experimental and multiscale computational study / Michael L. Drummond ... [et al.] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen ... [et al.] -- Microscopic insights into the dynamics of protein-solvent mixtures / Taner E. Dirama and Gustavo A. Carri -- Mesoscale simulations of surface-modified nanospheres in solvents / Sanat Mohanty -- Fixing interatomic potentials using multiscale modeling: ad hoc schemes for coupling atomic and continuum simulations / Clifford W. Padgett ... [et al.] -- Fully analytic implementation of density functional theory for efficient calculations on large molecules / Rajendra R. Zope and Brett I. Dunlap -- Aluminum nanoparticles: accurate potential energy functions and physical properties / Nathan E. Schultz ... [et al.] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty ... [et al.] -- New QM/MM models for multiscale simulation of phosphoryl transfer reactions in solution / Kwangho Nam, Jiali Gao and Darrin M. York -- Modeling the thermal decomposition of large molecules and nanostructures / Marc R. Nyden, Stanislav I. Stoliarov and Vadim D. Knyazev -- Predicting dynamic mesoscale structure of commercially relevant surfactant solutions / Fiona Case Explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings. This book provides an overview of the methods for providing atomistic simulation of a range of materials using our understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena TECHNOLOGY & ENGINEERING / Material Science bisacsh Molecular electronics Simulation methods Nanotechnology Molekularelektronik (DE-588)4170394-7 gnd rswk-swf Nanotechnologie (DE-588)4327470-5 gnd rswk-swf Simulation (DE-588)4055072-2 gnd rswk-swf Molekularelektronik (DE-588)4170394-7 s Simulation (DE-588)4055072-2 s 1\p DE-604 Nanotechnologie (DE-588)4327470-5 s 2\p DE-604 Ross, Richard B. Sonstige oth Mohanty, Sanat S. Sonstige oth Erscheint auch als Druck-Ausgabe, Hardcover 0-470-10528-3 Erscheint auch als Druck-Ausgabe, Hardcover 978-0-470-10528-3 http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=219798 Aggregator Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Multiscale simulation methods for nanomaterials TECHNOLOGY & ENGINEERING / Material Science bisacsh Molecular electronics Simulation methods Nanotechnology Molekularelektronik (DE-588)4170394-7 gnd Nanotechnologie (DE-588)4327470-5 gnd Simulation (DE-588)4055072-2 gnd |
| subject_GND | (DE-588)4170394-7 (DE-588)4327470-5 (DE-588)4055072-2 |
| title | Multiscale simulation methods for nanomaterials |
| title_auth | Multiscale simulation methods for nanomaterials |
| title_exact_search | Multiscale simulation methods for nanomaterials |
| title_full | Multiscale simulation methods for nanomaterials edited by Richard B. Ross, Sanat Mohanty |
| title_fullStr | Multiscale simulation methods for nanomaterials edited by Richard B. Ross, Sanat Mohanty |
| title_full_unstemmed | Multiscale simulation methods for nanomaterials edited by Richard B. Ross, Sanat Mohanty |
| title_short | Multiscale simulation methods for nanomaterials |
| title_sort | multiscale simulation methods for nanomaterials |
| topic | TECHNOLOGY & ENGINEERING / Material Science bisacsh Molecular electronics Simulation methods Nanotechnology Molekularelektronik (DE-588)4170394-7 gnd Nanotechnologie (DE-588)4327470-5 gnd Simulation (DE-588)4055072-2 gnd |
| topic_facet | TECHNOLOGY & ENGINEERING / Material Science Molecular electronics Simulation methods Nanotechnology Molekularelektronik Nanotechnologie Simulation |
| url | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=219798 |
| work_keys_str_mv | AT rossrichardb multiscalesimulationmethodsfornanomaterials AT mohantysanats multiscalesimulationmethodsfornanomaterials |