computational chemistry PhD Projects, Programs & Scholarships

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

Automation will transform the chemical landscape. Powerful robotic platforms can perform reactions or analyses much more rapidly than traditional approaches.1 Ever faster computers allow huge numbers of molecules to be studied in an automated way using computational chemistry.

Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes

University of Bath
Department of Chemistry

Dr B Morgan

Application Deadline: 24 November 2019

Funding Type

PhD Type

Funded PhD Project (European/UK Students Only)

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project has funding attached for UK and EU students, though the amount may depend on your nationality. Non-EU students may still be able to apply for the project provided they can find separate funding. You should check the project and department details for more information.

A fully-funded 4-year PhD studentship in theoretical / computational chemistry is available in the Department of Chemistry at the University of Bath.

Machine learning in quantum chemistry - using machine learning to improve the results of quantum chemical calculations

University of Sheffield
Department of Chemistry

Dr JG Hill

Applications accepted all year round

Funding Type

PhD Type

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

Machine learning methods have seen a great deal of recent success in a number of technological fields, and these techniques from applied statistics and computer science are poised to change the fields of computational and theoretical quantum chemistry.

Photophysics and photochemistry of “non-natural” DNA building blocks

University of York
Department of Chemistry

Dr C E Dessent

Applications accepted all year round

Funding Type

PhD Type

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

Over the last decade, a number of alternative nucleobase units have been developed that have allowed expansion of the genetic alphabet.1 For some of these…

Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations

The University of Manchester
Faculty of Biology, Medicine and Health

Dr R A Bryce, Dr N Burton

Applications accepted all year round

Funding Type

PhD Type

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.

Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents

University of Bradford
Faculty of Life Sciences

Research Group: Institute of Cancer Therapeutics

Dr R Falconer, Dr S Shnyder

Applications accepted all year round

Funding Type

PhD Type

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases (polySTs).

13 ESR positions available within the HORIZON 2020 - Marie Sklodowska-Curie ITN-European Joint Doctorate TubInTrain: PhD programme in Chemistry and Biology of Neurodegeneration

University of Milan
Department of Chemistry

Funding Type

PhD Type

International PhD Programme

International PhD programs are often designed for international students. Your PhD will usually be delivered in English, though some opportunities to gain and use additional language skills might also be available. Students may propose their own PhD topics or apply for advertised projects.

Italy PhD Programme

An Italian PhD usually takes 3-4 years and consists of some taught units as well as research towards your thesis. This will be examined at a public defence, rather than a private viva voce. Some programmes are taught in English.

Marie Curie Research Training Network

Marie Curie Action Innovative Training Networks are set up by the European Union to provide joint PhD opportunities involving universities and industrial partners from at least two different countries. Students receive generous funding as they move between participating institutions to complete unique research and training opportunities.

Horizon 2020 Programme

Horizon 2020 Programmes are research projects funded by the European Union’s current Framework for Research and Innovation. PhD opportunities are often funded as part of the EU’s Marie Skłodowska-Curie actions which promote international training and research collaboration. The UK Government has pledged to support ongoing Horizon 2020 projects after Brexit.

Funded PhD Programme (European/UK Students Only)

Some or all of the PhD opportunities in this programme have funding attached. It is available to citizens of a number of European countries (including the UK). In most cases this will include all EU nationals. However full funding may not be available to all applicants and you should read the full programme details for further information.

The Horizon 2020 MSCA joint doctoral project TubInTrain (“Tuning Tubulin Dynamics and Interactions to Face Neurotoxicity.

Multiphase modelling of atmospheric chemistry

University of York
Department of Chemistry

Prof M Evans, Prof L J Carpenter

Application Deadline: 6 January 2020

Funding Type

PhD Type

Competition Funded PhD Project (European/UK Students Only)

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project is in competition for funding with other projects. Usually the project which receives the best applicant will be successful. Unsuccessful projects may still go ahead as self-funded opportunities.

This project will explore a new representation of multiphase atmospheric chemistry in a state-of-the-art chemical transport model, thus improving our ability to predict climate change and air quality.

High Power Renewable Energy Nano Catalysis – Fundamental and Applied Electrochemistry

Ariel University
Department of Biological Chemistry

Prof A Schechter

Applications accepted all year round

Funding Type

PhD Type

Competition Funded PhD Project (Students Worldwide)

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This project is in competition for funding with other projects. Usually the project which receives the best applicant will be successful. Unsuccessful projects may still go ahead as self-funded opportunities. Applications for the project are welcome from all suitably qualified candidates, but potential funding may be restricted to a limited set of nationalities. You should check the project and department details for more information.

The development of a low-cost, high-performance fuel cell is hindered by the lack of an active and electrocatalysts at the anode and cathode.

PhD position in Computational Sciences

The Cyprus Institute
Computation-based Science and Technology Research Centre (CaSToRC)

Prof C Alexandrou

Applications accepted all year round

Funding Type

PhD Type

Awaiting Funding Decision/Possible External Funding

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

This supervisor does not yet know if funding is available for this project, or they intend to apply for external funding once a suitable candidate is selected. Applications are welcome - please see project details for further information.

PhD, with possibility of financial aiding at The Cyprus Institute (CyI). Supervisors. Prof. C. Alexandrou (CyI) [email protected]