ABSTRACT
Chapter 7 provides an introduction and overview of model development and visualization techniques, along with data preparation, with emphasis on a variety of popular simulation and computational techniques, namely large-scale atomic/molecular massively parallel simulator (LAMMPS), density functional theory (DFT), and COMSOL Multiphysics™. It also covers artificial intelligence (AI), machine learning (ML), and quantum computing, with contemporary applications in the areas of Big Data, materials science, quantum machine learning, and self-driving cars.
