Course overview
This course provides an introduction to modelling and simulation of materials, covering force-field based atomistic and molecular simulation, and first principle calculation based on quantum mechanics. Students will learn how to use computation as new tools to predict functional material properties. Students will also learn how to design materials and structures from the bottom up - to make lighter, stronger, more efficient, and less expensive materials. In this subject, students will get hands-on training in both the fundamentals and applications of these exciting new methods to key engineering problems, such as energy, optical, and quantum.