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We have 35 Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK)






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Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK)

We have 35 Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK)

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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Postgraduate Research Scholarship in Materials for Hydrogen Storage

Background. This scholarship aims to support a student undertaking a PhD within the School of Chemistry, Faculty of Science, where the focus of their research is on the development of novel Hydrogen Storage materials. Read more

Machine learning and data science for materials discovery

New materials hold great promise in addressing global challenges that our society faces today. For instance, green hydrogen as a sustainable transport fuel requires the development of materials for better electrolysers to accelerate the transition to clean transportation. Read more

Combinatorial Optimisation and Machine Learning for Crystal Structure Prediction

The University of Liverpool invites applications for a fully funded PhD studentship in Computer Science aimed at the creation of new Crystal Structure Prediction (CSP) tools leveraging mathematical optimisation, machine learning, and fundamental understanding of this problem. Read more

Towards boosting photosynthesis by plant nanobionics

The department of Chemical Engineering at the University of Bath is inviting applications for the following fully funded PhD project, expected to commence by September 2023. Read more
Last chance to apply

Computational design of magnetic metal-organic frameworks using ab initio crystal structure prediction

In the Arhangelskis group we develop methods for the computational design of crystalline materials with the aim of improving the speed and reducing the costs of materials development, while also driving our understanding of structure-property relationships. Read more

Applications of Interlocked Molecules - catalysis, materials, medicine and organic synthesis

  Research Group: Molecular Synthesis and Chemical Biology
Research in the Goldup Group at the University of Birmingham focusses on the synthesis, properties and applications of mechanically interlocked molecules such as rotaxanes and catenanes. Read more

PhD Fellowship - Simulations of Materials at Extreme Conditions

Looking for an exciting and challenging research opportunity at the science frontiers? Join our dynamic research group that explores the behaviour of materials under extreme conditions using advanced theory, simulations, and experiments!. Read more

EPSRC Centre for Doctoral Training in Technology Enhanced Chemical Synthesis (TECS)

Our PhD programme combines world-leading research in Chemical Synthesis with state-of-the-art training in technology and automation to prepare you for a career in modern synthetic chemistry, whether in industry or academic research. Read more

Discovery of materials for enhanced PV performance (Ref NSGPVPS2023)

An opportunity for a 3.5 year PhD position supported by NSG Group towards the computational discovery of new materials to enhance the performance of PV devices and forms part of a larger collaboration with NSG around the discovery of new materials for the glass industry. Read more

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