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Module Outline:

This module aims to present the theoretical framework on which much modern molecular computational chemistry is based. The science behind the main modelling methods, based on classical and quantum models, will be introduced. You will gain an understanding of what methods can be applied to different problems.

Module Aims:

At the end of the module students should be able to:

1. Describe some of the key theories underlying modern computational chemistry.

2. To use these theories to tackle a range of descriptive and problem based questions.

Teaching and Learning Methods:

Lectures: The topics will be introduced through a blended delivery of asynchronous videos with online activities, and support hours.

Workshops: A series of seminars will be held to present and discuss research papers which use computational methods to solve chemical problems. Each seminar will require research papers to be read in advance and that student have prepared questions / discussion points. The seminar will be led by one of the academics and will consist of a presentation on the paper followed by a discussion of the methods used, their appropriateness, their limitations and how they were used to interpret the chemistry concerned.

Self-study: In addition to timetabled hours it is expected that you engage in self-study in order to master the material. This can take the form of practicing example questions (additional questions available on Moodle and past exam questions) and further reading in textbooks and online.