Coventry University Featured PhD Programmes
Engineering and Physical Sciences Research Council Featured PhD Programmes
Bournemouth University Featured PhD Programmes

Computational Chemistry PhD Projects, Programs & Scholarships

We have 172 Computational Chemistry PhD Projects, Programs & Scholarships

  • Maths & Computing×
  • Computational Chemistry×
  • clear all
Order by 
Showing 61 to 90 of 172
  Generation of transplant tissue following correction of patient stem cells by genomic engineering
  Dr F Manson, Dr RL Taylor, Dr A Adamson
Applications accepted all year round

Funding Type

PhD Type

A number of retinal degenerations result from mutations in genes expressed in the retinal pigment epithelium (RPE) which lies under the photoreceptors.
  Exploiting druggability host spots in protein phosphatase targets
  Dr L Tabernero, Prof D Procter, Dr S Butterworth
Applications accepted all year round

Funding Type

PhD Type

In the past years the use of virtual screening or computer-based screening of compound libraries against selected targets has expanded exponentially the boundaries of drug discovery.
  Characterising B cells in Rheumatoid Arthritis: Their role in susceptibility, pathogenesis, and treatment response
  Dr S Viatte, Dr Gemma Radley, Prof A Barton
Applications accepted all year round

Funding Type

PhD Type

Background. Rheumatoid arthritis (RA) is a chronic inflammatory autoimmune disease that primarily affects the joints. In the UK, some patients who fail to respond to methotrexate (MTX) and TNF inhibitors (TNFi) are started on rituximab, and 20% will experience a favourable clinical response.
  Exploring the influence of proteogenomics in patients receiving biologic drugs for treatment of psoriatic arthritis
  Prof A Barton, Dr James Bluett, Dr N Nair
Applications accepted all year round

Funding Type

PhD Type

Background. Psoriatic arthritis (PsA) is an inflammatory arthritis, associated with the chronic skin condition psoriasis, which causes joint inflammation.
  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  Dr R A Bryce, Dr N Burton
Applications accepted all year round

Funding Type

PhD Type

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.
  Developing inhibitors of Rac1b as a potential novel drug against breast cancer stem cells
  Dr R A Bryce, Dr A Ucar, Dr R Whitehead
Applications accepted all year round

Funding Type

PhD Type

Breast cancer is the most common cancer in the UK with a lifetime risk of 1-in-8 for women and accounts for 12,000 deaths annually.
  (EPSRC DTP) Computational-guided identification of novel antivirulence drugs
  Dr L Tabernero, Dr S Butterworth, Prof D Procter
Application Deadline: 30 April 2020

Funding Type

PhD Type

The increasing emergence of multi-drug-resistant microorganisms has led the World Health Organisation to plead for action against antimicrobial resistance (AMR).
  EPSRC CDT in Science and Applications of Graphene and Related Nanomaterials (Graphene NOWANO)

Funding Type

PhD Type

Established in 2013 with EPSRC funding and now supported by the University of Manchester and industry, Graphene NOWNANO CDT offers PhD training in science, technology and applications of the fast-growing family of two-dimensional materials.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  Machine-learning design of novel magnets
  Prof S Sanvito
Applications accepted all year round

Funding Type

PhD Type

A PhD position is available from September 2019 in the School of Physics and the CRANN Institute (www.crann.tcd.ie) at Trinity College Dublin (Ireland).
  PhD Candidate in Computational (Electro)Catalysis
  Prof M García-Melchor
Applications accepted all year round

Funding Type

PhD Type

Applications from outstanding and highly motivated students are invited for a fully funded 4-year PhD position (€18,000 per annum + academic fees) in the Computational Catalysis and Energy Materials (CCEM) Group led by Dr.
  Modelling the self-organisation of metal-organic molecular networks on active substrates.
  Prof N Caffrey
Applications accepted all year round

Funding Type

PhD Type

The goal of this project is to computationally design atomically-thin ‘smart surfaces’ which can change their form or function in response to external stimuli.
  Designing nanomachines using computer simulations and artificial intelligence
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

We are looking for highly motivated students to join our interdisciplinary team for an exciting project at the interface of physics, computer science, and biology.
  Exploring complexity and scalability of Near-term Quantum Computing algorithms for Quantum Chemistry
  Prof J Tennyson
Applications accepted all year round

Funding Type

PhD Type

The study of molecular systems is heavily limited by current computing capabilities. As molecular systems grow in complexity exponentially, accurate computation of chemical properties becomes challenging even for small systems.
  Physics behind the evolution of cell remodelling
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

Complex eukaryotic cells first appeared on earth over a billion years ago. Such cells are built out of physical compartments separated from each other by membrane boundaries.
  Physics of cutting and reshaping of cell membranes
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

We are looking for highly motivated students to join our interdisciplinary team for an exciting project at the interface of physics, biology, and chemistry.
  Theoretical PhD position in interactions of free-electron pulses with molecules at UCL
  Dr A Emmanouilidou
Application Deadline: 30 March 2020

Funding Type

PhD Type

The Attosecond and Free-Electron-Laser Science Theory Group at UCL, http://www.homepages.ucl.ac.uk/~ucapaem/index.html, is currently advertising a 3.5 year PhD position in the field of interaction of molecules with free-electron lasers.
  A 3-year PhD studentship in deep-learning assisted design of active hyperuniform materials
  Dr G Volpe
Application Deadline: 20 July 2020

Funding Type

PhD Type

This position is fully funded by the UCL-A*STAR Collaborative Programme via the Centre for Doctoral Training in Molecular Modelling and Materials Science (M3S CDT) at UCL.
  Organic electrosynthesis
  Dr J Sperry
Applications accepted all year round

Funding Type

PhD Type

The field of chemical synthesis is under constant pressure to produce molecules in a timely, economical and sustainable fashion. In this project we will demonstrate that valuable heterocyclic molecules can be efficiently synthesized in an environmentally friendly manner by simply using electric current.
  Structural batteries mechanical resilience
  Dr ATR Rhead, Prof MSI Islam
Applications accepted all year round

Funding Type

PhD Type

Batteries based on carbon fibre reinforced plastic (CFRP) have the potential to supply power with an improved overall efficiency (vehicle power to weight rather than battery power to weight) compared to current battery technologies.
  Atomistic Modelling Studies of New Materials for Lithium Batteries
  Prof M S Islam
Application Deadline: 26 April 2020

Funding Type

PhD Type

The University of Bath is inviting applications for a PhD opportunity in the Department of Chemistry under the supervision of Prof Saiful Islam.
  High Energy Density Li-ion Cathodes: Computational Insights and Discovery of New Mixed-Anion Materials
  Dr B Morgan, Prof M S Islam
Application Deadline: 19 April 2020

Funding Type

PhD Type

The University of Bath is inviting applications for a PhD position fully funded by the Faraday Institution.
  Simulations of charge transport in organic polymer semiconductors
  Prof A Walker
Applications accepted all year round

Funding Type

PhD Type

The University of Bath is inviting applications for the following PhD project supervised by Prof Alison Walker in the Department of Physics.
  Data-driven and Model-based Design and Computational Analysis of Systems and Synthetic Biology
  Research Group: Applied Computing
  Dr S Konur, Prof M Gheorghe, Dr R Hamed
Applications accepted all year round

Funding Type

PhD Type

Understanding how biological cells and organisms function is a very challenging task, as biological systems are getting more complex.
  Computation and Confirmation Experiments on Solvated Hydrogen Bonding Complexes
  Research Group: Chemistry and Biosciences
  Dr T Swift, Dr C Seaton
Applications accepted all year round

Funding Type

PhD Type

The creation of complexes between polymeric compounds drives many industrial / biological processes and has been extensively studied in well-defined biological compounds with uniform structures.
  Rational Control of Crystal Morphology
  Research Group: Chemistry and Biosciences
  Dr C Seaton
Applications accepted all year round

Funding Type

PhD Type

The external shape of crystalline particles (called morphology) is of paramount importance in a wide range of applications, in particular pharmaceuticals and pigments.
  EPSRC Centre for Doctoral Training in Aerosol Science

Funding Type

PhD Type

The Centre for Doctoral training in Aerosol Science is now recruiting to our 4-year PhD programme for 2020 entry.
  A combined magnetic resonance (NMR and EPR) approach to identifying and characterising ligand interactions. (MACMILLANF1U20SF)
  Dr F MacMillan
Application Deadline: 31 May 2020

Funding Type

PhD Type

We use advanced magnetic resonance approaches to identify and characterise weak molecular interactions. The aim of this project is to combine both Electron Paramagnetic Resonance (EPR) and Nuclear Magnetic Resonance (NMR) spectroscopic techniques to study such interactions.
  Ultrafast dynamics of isolated chromophores (BULLJU20SF)
  Dr J Bull
Application Deadline: 31 May 2020

Funding Type

PhD Type

A motivated and enthusiastic student is sought for a PhD in Physical Chemistry/Chemical Physics that will apply ultrafast lasers to understand excited dynamics in molecules of biological and technological importance.
  Understanding Movement and Mechanism in Molecuar Machines (MACMILLANF2U20SF)
  Dr F MacMillan
Application Deadline: 31 May 2020

Funding Type

PhD Type

We study the architecture and functional dynamics of membrane proteins, especially many medically relevant membrane transport systems.
Show 10 15 30 per page


FindAPhD. Copyright 2005-2020
All rights reserved.