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MSc in Theoretical and Computational Chemistry

About the course

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.

Attendance

The course is full-time and requires attendance in Oxford. Full-time students are subject to the University's Residence requirements.

Resources to support your study

As a graduate student, you will have access to the University's wide range of world-class resources including libraries, museums, galleries, digital resources and IT services.

The Bodleian Libraries is the largest library system in the UK. It includes the main Bodleian Library and libraries across Oxford, including major research libraries and faculty, department and institute libraries. Together, the Libraries hold more than 13 million printed items, provide access to e-journals, and contain outstanding special collections including rare books and manuscripts, classical papyri, maps, music, art and printed ephemera.

The University's IT Services is available to all students to support with core university IT systems and tools, as well as many other services and facilities. IT Services also offers a range of IT learning courses for students, to support with learning and research.

All students will be allocated their own desk, with a computer. Access to the departmental IT network is open at all times and extensive software is available. Departmental computers, software licences and the network are supported by the department's IT staff. Network access is offered at all times via the VPN.

Internet access to all relevant recent journals is available. Books and older journal issues are available in the University science library, located within five minutes' walking distance.
In the event of difficulty, pastoral care can be offered by your college, by the project supervisor, the course leadership team and/or the director of studies.

Supervision

The allocation of graduate supervision for this course is the responsibility of the Department of Chemistry and it is not always possible to accommodate the preferences of incoming graduate students to work with a particular member of staff. Under exceptional circumstances a supervisor may be found outside the Department of Chemistry.

Assessment

Assessments are spread out over the academic year. 

Each module is assessed by a piece of coursework or a written examination.

The assessment of the short project will be based on a report that you will submit.

Graduate destinations

The number of students on this course is so small that statistics are not meaningful. Many students go on to further academic study, while others use the skills they have gained in a wide variety of destinations. The department runs a number of activities in close cooperation with the Careers Service, including an annual careers conference, CV workshops and visits from many employers. The course also has strong engagement with industrial partners.

Changes to this course and your supervision

The University will seek to deliver this course in accordance with the description set out in this course page. However, there may be situations in which it is desirable or necessary for the University to make changes in course provision, either before or after registration. The safety of students, staff and visitors is paramount and major changes to delivery or services may have to be made if a pandemic, epidemic or local health emergency occurs. In addition, in certain circumstances, for example due to visa difficulties or because the health needs of students cannot be met, it may be necessary to make adjustments to course requirements for international study.

Where possible your academic supervisor will not change for the duration of your course. However, it may be necessary to assign a new academic supervisor during the course of study or before registration for reasons which might include illness, sabbatical leave, parental leave or change in employment.

For further information please see our page on changes to courses and the provisions of the student contract regarding changes to courses.

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