We have 33 Computational Chemistry PhD Projects, Programmes & Scholarships for Non-European Students






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Computational Chemistry PhD Projects, Programmes & Scholarships for Non-European Students

We have 33 Computational Chemistry PhD Projects, Programmes & Scholarships for Non-European 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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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

Machine-learning-guided design of efficient sustainable materials for hydrogenation photocatalysis

A fully funded 4-year PhD project in Machine-learning-guided design of efficient sustainable materials for hydrogenation photocatalysis is available with a flexible 2023-2024 start date. Read more

Tunneling in Organic and Organocatalytic Reactions

A PhD studentship is available in the group of Dr. Ephrath Solel Moroshko (School of Chemistry, The University of Edinburgh); https://www.chem.ed.ac.uk/staff/academic-staff/dr-ephrath-solel-moroshko. Read more
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AI for selection of corrosion inhibitors: Enabling real-world in silico evaluation

This PhD provides an exciting and unique opportunity for someone to work at the interface between two quite different fields, namely corrosion control and pharmaceutical drug design, to test the following hypothesis. Read more

The design of alternative models of electronic structure in the ground and excited states

The Quantum-Chemical Theory and Simulation Laboratory (QCTSL) at the University of Winnipeg is currently searching for a PhD student to perform theoretical chemistry research, particularly in the area of electronic structure theory development. Read more

Shining A Light On Magnetic Resonance

Many important reactions and processes in chemistry and biochemistry are started by light. A photon of light interacts with a molecule, or part of a molecule, known as a chromophore generating an excited state in which an electron is promoted into a higher energy orbital. Read more

Ammonia Electrochemical synthesis for CO2-free energy applications

Ammonia Electrochemical synthesis for CO2-free energy applications.  The development of low-cost, high-performance energy storage and conversion devices are critical for an environmentally sustainable future free of CO2 emissions. Read more

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

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