Molecular Dynamics Simulations for Beginners: Key Topics in Materials Science and Engineering

Molecular Dynamics Simulations for Beginners: Key Topics in Materials Science and Engineering introduces readers to the concepts of particle-based materials modeling and the insight it can provide. A significant portion of the book consists of calculation examples, where readers learn how to set up and run material simulations using an open-source simulator, LAMMPS, developed at Sandia National Labs. The hands-on exercises cover a wide range of materials, properties, and behaviors and include step-by-step instructions along with input code, output plots, and explanations.