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Computational Chemistry PhD Research Projects

We have 100 Computational Chemistry PhD Research Projects

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Pushing the boundaries of protein degradation: The development of novel PROTAC technology for CNS penetration and inhaled delivery
University of Strathclyde Pure and Applied Chemistry
This project is one of 19 four year PhD Studentships funded by Medical Research Scotland (. https://www.medicalresearchscotland.org.uk. Read more
 Supervisor: Prof W Kerr
 14 April 2021 PhD Research Project

PhD Research Project

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.

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Funded PhD Project (UK Students Only)

Funded PhD Project (UK Students Only)

This research project has funding attached. It is only available to UK citizens or those who have been resident in the UK for a period of 3 years or more. Some projects, which are funded by charities or by the universities themselves may have more stringent restrictions.

More Details
Surface-Hopping Dynamics of Electronically Excited Processes in Photochemistry and Scattering
Heriot-Watt University School of Engineering & Physical Sciences
This project will involve simulation of electronically excited molecules undergoing various processes including quenching through collision, reactive photochemistry, internal conversion and intersystem crossing. Read more
 Supervisor: Dr M Paterson
 5 May 2021 PhD Research Project

PhD Research Project

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.

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Competition Funded PhD Project (Students Worldwide)

Competition Funded PhD Project (Students Worldwide)

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.

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Modelling Solid-State Molecular OrganoMetallic (SMOM) Chemistry
Heriot-Watt University School of Engineering & Physical Sciences
This project is in computational chemistry and aims to understand the chemistry of transition metal alkane complexes, their relationship to C-H activation… Read more
 Supervisor: Prof S A Macgregor
 5 May 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (Students Worldwide)

Competition Funded PhD Project (Students Worldwide)

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.

More Details
Computational Modelling of Catalytic C-H Functionalisation
Heriot-Watt University School of Engineering & Physical Sciences
The project will involve the use of density functional theory calculations to model the Ru-catalysed arylation and alkylation of heterocycles. Research… Read more
 Supervisor: Prof S A Macgregor
 5 May 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (Students Worldwide)

Competition Funded PhD Project (Students Worldwide)

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.

More Details
3D Spectrum Imaging and Visualisation of Chemical Microstructure
University of Leeds Faculty of Engineering and Physical Sciences
  Research Group: School of Computing
It is essential to understand the structure of materials, as it is the link between structure and properties that determines potential applications. Read more
 Supervisors: Dr J Leng, Dr N Hondow
Open Day(s)  3 May 2021 PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (UK Students Only)

Funded PhD Project (UK Students Only)

This research project has funding attached. It is only available to UK citizens or those who have been resident in the UK for a period of 3 years or more. Some projects, which are funded by charities or by the universities themselves may have more stringent restrictions.

More Details
New Resins for Next Generation Advanced Composite Materials
Deakin University Insitute for Frontier Materials
Carbon Nexus at Deakin University is Australia’s carbon fibre and composite research facility conducting research across the entire composite materials value chain from carbon fibre and new resins to composite manufacturing. Read more
 Supervisors: Dr R Varley, Prof T Walsh
 Year round applications PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (Students Worldwide)

Funded PhD Project (Students Worldwide)

This project has funding attached, subject to eligibility criteria. Applications for the project are welcome from all suitably qualified candidates, but its funding may be restricted to a limited set of nationalities. You should check the project and department details for more information.

More Details
Molecular simulations of metal ion coordination for recycling of spent batteries
Deakin University Insitute for Frontier Materials
A fully-funded PhD position in molecular simulation in the team of Prof. Tiffany Walsh is available at Deakin University in the Institute for Frontier Materials, Geelong, starting as soon as possible. Read more
 Supervisors: Prof T Walsh, Dr Cristina Pozo-Gonzalo
 Year round applications PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (Students Worldwide)

Funded PhD Project (Students Worldwide)

This project has funding attached, subject to eligibility criteria. Applications for the project are welcome from all suitably qualified candidates, but its funding may be restricted to a limited set of nationalities. You should check the project and department details for more information.

More Details
Physico-chemical analysis of Siglecs-Glycan complexes
University of Naples Federico II PhD Programmes
MSCA-ITN fully funded PhD position available at Department of Chemical Sciences, University of Napoli Federico II (Italy) within Innovative Training Network (ITN) GLYTUNES. Read more
 Supervisor: Prof A Silipo
 13 September 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (Students Worldwide)

Competition Funded PhD Project (Students Worldwide)

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.

More Details
Full characterization of bacterial sialylated envelope components
University of Naples Federico II PhD Programmes
MSCA-ITN fully funded PhD position available at Department of Chemical Sciences, University of Napoli Federico II (Italy) within  Innovative Training Network (ITN) GLYTUNES. Read more
 Supervisor: Prof A Silipo
 14 September 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (Students Worldwide)

Competition Funded PhD Project (Students Worldwide)

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.

More Details
Big data and machine learning for reaction design
University of Bath Department of Chemistry
The University of Bath is inviting applications for the following PhD project commencing in October 2021. Funding is available to candidates who qualify for ‘Home’ fee status. Read more
 Supervisor: Dr M N Grayson
 13 April 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (European/UK Students Only)

Competition Funded PhD Project (European/UK Students Only)

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.

More Details
Getting more from low-resolution methods: the combination of SAXS and atomistic molecular simulation
University of Southampton Chemistry
Supervisory Team.   Jonathan Essex & Ivo Tews. Project description. Structural knowledge at the atomic level is essential for a complete understanding of biological function. Read more
 Supervisor: Prof J W Essex
 31 August 2021 PhD Research Project

PhD Research Project

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.

View All
Competition Funded PhD Project (UK Students Only)

Competition Funded PhD Project (UK Students Only)

This research project is one of a number of projects at this institution. It is in competition for funding with one or more of these projects. Usually the project which receives the best applicant will be awarded the funding. The funding is only available to UK citizens or those who have been resident in the UK for a period of 3 years or more. Some projects, which are funded by charities or by the universities themselves may have more stringent restrictions.

More Details
Programmable artificial cells as living technology
Cardiff University Cardiff School of Pharmacy and Pharmaceutical Sciences
PhD Studentship aligned with European Consortium Project. Artificial Cells with Distributed Cores to Decipher Protein Function. We envision a future where ‘chemical apps’ on mobile devices produce on demand valuable compounds for health and performance as well as apps for bioagent threat and disease detection. Read more
 Supervisor: Dr O Castell
 1 May 2021 PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (European/UK Students Only)

Funded PhD Project (European/UK Students Only)

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.

More Details
Data-Centric Molecular Dynamics Simulation of Supercritical Fluids for Process Engineering
Queen Mary University of London School of Physics and Astronomy
About the Project. The following doctoral studentship is available in the. School of Physics & Astronomy. to start in September 2021. For more information on how to apply for this or other funded opportunities available please visit our website. Read more
 Supervisors: Prof K Trachenko, Dr A Phillips
 10 May 2021 PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (UK Students Only)

Funded PhD Project (UK Students Only)

This research project has funding attached. It is only available to UK citizens or those who have been resident in the UK for a period of 3 years or more. Some projects, which are funded by charities or by the universities themselves may have more stringent restrictions.

More Details
Modelling Crystal Growth for Crystal Habit Control and Rational Process Design (project 3)
The University of Manchester Department of Chemistry
This project, based at The University of Manchester( UoM), is a collaboration between UoM and BASF, the world’s leading chemical company, that supports the development of advanced modelling capabilities for the prediction of crystal shape and morphology (habit), and the design of crystallization processes. Read more
 Supervisors: Prof M W Anderson, Dr M Attfield
 30 April 2021 PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (European/UK Students Only)

Funded PhD Project (European/UK Students Only)

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.

More Details
Modelling Crystal Growth for Crystal Habit Control and Rational Process Design (Project 2)
The University of Manchester Department of Chemistry
This project, based at The University of Manchester( UoM), is a collaboration between UoM and BASF, the world’s leading chemical company, that supports the development of advanced modelling capabilities for the prediction of crystal shape and morphology (habit), and the design of crystallization processes. Read more
 Supervisors: Prof M W Anderson, Dr M Attfield
 30 April 2021 PhD Research Project

PhD Research Project

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.

View All
Funded PhD Project (European/UK Students Only)

Funded PhD Project (European/UK Students Only)

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.

More Details

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