Computational Chemistry (F1047)
15 credits, Level 6
The aim of the module is to provide a guide to the various levels of theory (with their associated acronyms) appearing in the rapidly expanding field of computational chemistry, with a particular emphasis on quantum chemical methods.
The module will start with the concept of a potential energy surface (stationary points, the Born-Oppenheimer approximation, etc), the types of computation normally performed, and the basic quantum mechanics of electrons and nuclei in molecules. The solution of the Schrodinger equation under different approximations will then be explored.
31%: Practical (Workshop)
30%: Coursework (Problem set)
70%: Examination (Computer-based examination)
Contact hours and workload
This module is approximately 150 hours of work. This breaks down into about 28 hours of contact time and about 122 hours of independent study. The University may make minor variations to the contact hours for operational reasons, including timetabling requirements.
This module is running in the academic year 2021/22. We also plan to offer it in future academic years. However, we are constantly looking to improve and enhance our courses. There may be changes to modules in response to student demand or feedback, changes to staff expertise or updates to our curriculum. We may also need to make changes in response to COVID-19. We’ll make sure to let our applicants know of material changes to modules at the earliest opportunity.