Collecting in one definitive source the state-of-the-art in atomic-level simulation techniques and applications for energetic materials used in the creation of explosives and propellants, Atomic-Level Simulations of Energetic Materials provides a detailed presentation and analysis of the simulation methods most commonly employed, along with a critical assessment of the current state of the field. Highlighting the clear connections between theory, simulation, and experiment, author Thomas Sewell emphasizes the best ways to take the results obtained from atomic-level simulations and incorporate them into larger-scale approaches in order to yield practical and useful predictions.