Computational Chemistry PhD Projects, Programmes & Scholarships

A PhD in Computational Chemistry involves the development and application of computational methods in chemistry to solve challenging problems.

What’s it like to study a PhD in Computational Chemistry?

Doing a PhD in Computational Chemistry, you will work with a supervisor who has a specific research aim in mind. You will be learning and implementing computational skills to address questions in Chemistry. You will have the opportunity to combine your knowledge of the mathematical and computational principles with your understanding of Chemistry to create bespoke computational models.

Typical research areas in Computational Chemistry  

Some typical research areas in Computational Chemistry include:

• Computational drug discovery
• Molecular systems engineering
• Nanomaterials and materials design
• Polymer design
• Mathematical biology

Typical research questions in Computational Chemistry

Some typical research questions asked in Computational Chemistry include:

• The development of new computational methods for solving problems in Chemistry
• Implementation of machine learning techniques for Chemistry analysis
• Development of novel computational models for complex chemical interactions
• Developing data analytics solutions for chemical systems

You also have the opportunity to connect your research with the wider field of Chemistry through collaboration with other departments. You can also contribute to undergraduate teaching and training of undergraduates.

PhD in Computational Chemistry entry requirements

The minimum entry requirement for a PhD in Computational Chemistry is normally a 2:1 undergraduate degree in a relevant subject like Physics, Computer Science or Chemistry, with a Masters qualification. Depending on the university, you might also need to submit a research proposal.

PhD in Computational Chemistry funding options

In the UK, PhDs in Computational Chemistry are funded by the Engineering and Physical Sciences Research Council (EPSRC). Projects have funding attached, meaning that you will automatically be awarded funding if you are successful in your application.

It is possible to study a PhD in Computational Chemistry without funding, but it is less common. You might consider funding options like the loan system or graduate teaching assistantship if you are planning to self-fund.

PhD in Computational Chemistry training

Before beginning your research, you will be required to complete certain training modules to gain the skills needed for your research.

PhD in Computational Chemistry careers

A PhD in Computational Chemistry can lead to careers in academia, pharmaceuticals and finance.

PhD in Computational Chemistry also have many applications outside Chemistry. You can also find a PhD in Computational Biology, Physics or Computer Science.