Introduction to Modeling and Simulation

This subject provides an introduction to modeling and simulation, covering continuum methods, atomistic and molecular simulation, and quantum mechanics. Hands-on training is provided in the fundamentals and applications of these methods to key engineering problems. The lectures provide exposure to areas of application based on the scientific exploitation of the power of computation. We use web based applets for simulations, thus extensive programming skills are not required.

Syllabus

Lecture 0: Introduction to Part II: Quantum Mechanical Methods
Lecture 1: It's a Quantum World: The Theory of Quantum Mechanics
Lecture 2: Practice Makes Perfect
Lecture 3: From Many-Body to Single-Particle: Quantum Modeling of Molecules
Lecture 4: Application of Quantum Modeling of Molecules: Solar Thermal Fuels
Lecture 5: Application of Quantum Modeling of Molecules: Solar Thermal Fuels (cont.)
Lecture 6: Hydrogen Storage, and Atoms to Molecules
Lecture 7: Quantum Modeling of Solids: Basic Properties
Lecture 8: Advanced Properties of Materials: What else can we do?
Lecture 9: Some Review and Introduction to Solar Photovoltaics
Lecture 10: Solar Photovoltaics