This book describes carbon nanothreads with complete and comprehensive knowledge covering theories, numerical methods, and properties comparisons with other carbon-based nanomaterials. For one thing, the main theoretical aspects in this book include: First-Principle Calculation, Density Functional Theory, Classical Molecular Dynamics Simulation, Non-equilibrium Molecular Dynamics Simulation, and Coarse Grained Simulation. For another thing, the main research contents include: Fundamental M...