Quantum theory of solids

Module code: PA4601

Developments in our understanding of the quantum theory of solids have driven much of our recent technological advancements in materials and devices, for example in flexible displays, sensors, and particularly nanoscale electronics. As part of this module you will study the methods used in modern calculations of the quantum properties of solids, from the exact theories to approximate, empirical methods. You will also gain experience in practical density functional theory calculations by computing the atomic and electronic properties of solids using state-of-the-art software on the University supercomputer.

By attending lectures and using state of the art software in computing workshops, you will develop the mathematical and problem solving ability, and also your ability skills to communicate complex scientific ideas to your peers and to staff.

Topics covered

• Density functional theory
• The configuration interaction method
• Empirical methods for quantum calculations
• Practical electronic structure calculations