Introduction to Materials Modeling and Simulation

Modern materials science relies heavily on computational modeling to predict how materials behave under different conditions before they are ever built in a lab. This course provides a clear, conceptual introduction to the core simulation methods used in engineering today, making complex computational physics accessible to beginners. You will transition from understanding basic molecular interactions to analyzing macroscopic material properties using structured, text-based explanations. What you'll learn: - Understand the foundational concepts of quantum mechanics, atomistic modeling, and continuum methods - Learn how to set up and interpret molecular dynamics simulations - Master the principles of density functional theory (DFT) for electronic structure calculations - Apply finite element analysis concepts to solve macroscopic engineering and stress problems - Explore modern data-driven materials science approaches, including basic machine learning potentials for atomistic simulations - Analyze simulation outputs to predict material strength, thermal conductivity, and chemical stability This course begins with core definitions and the physical principles governing materials at different length scales, before moving systematically from the quantum level up to continuum mechanics. You will read through clear mathematical formulations, conceptual breakdowns, and practical simulation workflows designed to build your engineering intuition. This course is designed for undergraduate students, entry-level engineers, and science enthusiasts who want to understand computational materials modeling without needing prior advanced programming experience. Start your journey into computational engineering and discover how simulation shapes modern technology.