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Multiscale Modeling in Nanophotonics: Materials and Simulationкнига
- Авторы: Bagaturyants A.A., Vener M.V.
- Год издания: 2017
- Место издания: Pan Stanford Publishing Singapore
- Объём: 274 страниц
- ISBN: 9789814774406
- Академическое издание
- Аннотация: The idea of predicting useful properties of various materials based on multiscale simulations has become very popular in recent years. Of special interest are nanostructured materials, which have a hierarchical structure. Among them, organic functional materials are very promising and considered as materials of the future, because of their flexibility and versatility. Their functional properties are inherited from the functional molecule that lies in the basis of the hierarchical structure. On the other hand, the properties of the functional molecule, in particular, its absorption and emission spectra strongly depend on its interactions with its molecular environment. Therefore, multiscale simulation methods used for predicting properties of organic functional materials should be atomistic, that is, these should be based on (classical and/or quantum) methods that explicitly take into account molecular structure and intermolecular interactions on an atomic level. This book is devoted to an exposition of these atomistic methods and their use in practical simulations. It contains six chapters: (1) Introduction, (2) Basics of classical mechanics, (3) Quantum chemistry methods for molecular disordered materials, (4) Classical methods of molecular simulations of disordered materials, (5) Vibronic interactions, (6) Multiscale strategy for atomistic simulation of photonic materials: examples and applications. https://www.crcpress.com/Multiscale-Modeling-of-Nanophotonics-Materials-and-Simulations/Bagaturyants-Vener/p/book/9789814774406
- Добавил в систему: Венер Михаил Владимирович