We have 66 Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students






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Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

We have 66 Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

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.

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Ultra High-Field for Enhanced Solid-State NMR of Materials

UK graduates are invited to apply for a fully funded 42-month PhD studentship starting in October 2024 in the area of magic angle spinning (MAS) nuclear magnetic resonance (NMR) of solids. Read more

PhD in Chemistry: Studies in heterogeneous catalysts

The Max Planck Centre for fundamental studies on heterogeneous catalyst was established in 2019 and has two themes operating on experimental heterogeneous catalysis; namely catalyst design and acetylene chemistry. Read more
Last chance to apply

Development of novel catalyst regeneration technologies for biomass conversion into valuable chemicals: experimental and modelling investigation

Lignocellulosic biomass is a green alternative fossil resource to produce fuels and value-added chemicals (e.g. polyols). Petronas have successfully developed Raney nickel and tungstic acid binary catalysts used in direct synthesis of pre-treated biomass hydrogenolysis to polyols. Read more

Synthesis of New Inorganic Layered Materials for Energy Applications

A diversity of novel materials is needed for applications such as photovoltaics, batteries, photocatalysts and thermoelectric generators to move to completely non-petrochemical energy generation and storage. Read more

Molecular simulation of bioactives

The opportunity. A fully funded scholarship is available for domestic and international students at the Industrial Transformation Training Centre for Facilitated Advancement of Australia’s Bioactives (FAAB) which is a multi-disciplinary consortium of 4 Universities and 13 Partner Organisations. Read more

Computation-driven Design of Functional Materials

The urgent demand for new technologies has greatly exceeded the capabilities of current materials research. In the past decades, computational modelling has been playing an increasingly important role in accelerating materials discovery and innovation. Read more
Last chance to apply

PhD Studentship in Machine Learning and Molecular Dynamics

Overview. Interested in machine learning (ML) for molecular modelling? This PhD project aims to develop machine learning inter-atomic potentials (MLIPs) for molecular materials and organic-inorganic interfaces relevant to energy storage technology and medicinal applications. Read more

Discover doctoral opportunities at the Information School

The Information School. A long established and highly respected department, the Information School is the number one department of its kind in Europe, and second in the world according to the QS World University Rankings by Subject 2019. Read more

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