Theoretical and Computational Chemistry (Taught)

The information provided on this page was correct at the time of publication (November 2024). For complete and up-to-date information about this course, please visit the relevant University of Oxford course page via www.graduate.ox.ac.uk/ucas.

The three primary activities in theoretical and computational chemistry are development of new theory, implementation of methods as reliable software, and application of such methods to a host of challenges in chemical and related sciences. The MSc aims to train new research students to be able to deliver these outcomes.

The MSc consists of a set of training modules and a short project. You will take the following compulsory core modules:

• Mathematics I

• Quantum Mechanics

• Statistical Mechanics

• Introduction to Programming

• Applied Statistics

• Methods of Computer Simulation

• Electronic Structure Theory

• Software Development.

You will also select a number of optional courses (currently five), which may include:

• Applied Computational Chemistry

• Biomolecular Simulation

• Mathematics II

• Quantum Mechanics in Condensed Phases

• Intermolecular Potentials

• Chemical Reaction Dynamics

• Advanced Quantum Mechanics

• Advanced Statistical Mechanics

• Machine-learning in Materials Chemistry.

Each module consists of several lectures/classes and a piece of assessed coursework or a written examination.

In addition, you will also be required to undertake one short project with an allocated supervisor. This typically takes a few weeks in either the Easter or Summer vacations. A list of possible supervisors and projects will be provided to select a topic from.