The main content of the book is devoted to the basics of classical mechanics, quantum chemistry methods for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategy for atomistic simulation of photonic materials).
The main content of the book is devoted to the basics of classical mechanics, quantum chemistry methods for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategy for atomistic simulation of photonic materials).
Alexander Bagaturyants is chief researcher at the Photochemistry Center of the Russian Academy of Sciences. He graduated from the Mendeleev Institute of Chemical Technology, Moscow, Russia, in 1962, obtained his PhD, doctor of science, and the academic title of professor, all in physical chemistry, in 1968, 1987, and 1992, respectively. His main research interests are in the field of atomistic multiscale simulations of organic functional materials. Mikhail Vener is professor at the Mendeleev University of Chemical Technology. He graduated from Moscow State University, Moscow, Russia, in 1983, in chemistry, obtained his PhD in chemical physics in 1987, and his doctor of science in 2004. His main research interests are in the field of spectroscopic features and proton dynamics in hydrogen-bonded systems in molecular crystals, polar solvents, and confined media.
Inhaltsangabe
Introduction. Basics of classical mechanics. Quantum chemistry methods for molecular disordered materials. Classical methods of molecular simulations of disordered (amorphous) materials. Vibronic interactions. Multiscale strategy for atomistic simulation of photonic materials: examples and applications.
Introduction. Basics of classical mechanics. Quantum chemistry methods for molecular disordered materials. Classical methods of molecular simulations of disordered (amorphous) materials. Vibronic interactions. Multiscale strategy for atomistic simulation of photonic materials: examples and applications.
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