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Self-Assembly is one of the most prominent and promising candidates for the development of novel materials with high performance, with applications in chemistry, materials science, physics, biotechnology, and chemical engineering. In light of the growing interest in the design and synthesis of building blocks for the self-assembly of complex structures, this book looks at the field of self-assembly from a theoretical perspective, highlighting the importance of theoretical studies and tailored computer simulations to support the design of new self-assembling materials with useful properties. The book is divided into three parts covering the basic principles of self-assembly, methodology, and emerging topics, as follows: * Introduction to theory and simulation for self-assembling systems * Hybrid modeling methods * Self-assembly of helical particles * Self-consistent field theory of self-assembling multiblock copolymers * Metal-ligand self-assembly * Computer simulation of liquid crystals * Hierarchical self-assembly in soft matter systems * Nucleation in colloidal Systems Written by internationally renowned experts from various disciplines, this book is among the first to provide both theoretical and simulation methods, as well as the research advances that are needed to realize the targeted ordered structures from designed building blocks. This makes it essential reading for anyone working in fields related to self-assembling systems e.g. researchers working in polymers, soft matter, nanoparticle self-assembly and biophysics.