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Maths & Computing×

Computational Chemistry PhD Projects, Programs & Scholarships

We have 192 Computational Chemistry PhD Projects, Programs & Scholarships

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  Antimatter Chemistry: reactive scattering collisions of antihydrogen atoms with hydrogen molecules
  Dr M Law, Dr W T A Harrison
Applications accepted all year round

Funding Type

PhD Type

Recently interest in antimatter research has increased as facilities such as CERN have succeeded in trapping antimatter atoms to study their properties [1].
  Enhanced Oil Recovery (EOR) from depleted Sandstone and Carbonate/chalk reservoirs
  Dr P Jadhawar, Dr H Hamidi
Applications accepted all year round

Funding Type

PhD Type

Nearly one third of the oil is left behind in the reservoir after the primary and secondary recovery methods of oil recovery.
  Process models for Portland cement manufacturing
  Dr M N Campbell-Bannerman, Dr P Kechagiopoulos
Applications accepted all year round

Funding Type

PhD Type

Cement is the most ubiquitous product after drinking water, with 4.1B tons produced in 2017 alone, enough for half a ton per person per year worldwide.
  Thermally superconducting and superinsulating nanofluids and their use in nanodevices
  Dr M N Campbell-Bannerman, Dr J Derksen
Applications accepted all year round

Funding Type

PhD Type

Nanotechnology is the forefront of a new industrial revolution. As the scale of new devices shrink, the design bottle-neck becomes getting rid of waste heat.
  FoodBioSystems DTP - Repositioning histone modifying enzyme (HME) inhibitors as next-generation flukicides
  Prof K Hoffman, Prof A Maule, Dr I Chalmers, Dr J Tomczak
Application Deadline: 6 March 2020

Funding Type

PhD Type

Research Group. FOODBIOSYSTEMS BBSRC DTP. Liver fluke (Fasciola hepatica) infection costs the UK livestock industry >£300m/year. The global impact of liver fluke infection across the livestock sector is estimated at over US$3.2b/year.
  Deep-learning for semantic-based information extraction from natural language
  Research Group: Computing, Informatics and Applications Research Group
  Dr A Fatima, Dr C Luca
Applications accepted all year round

Funding Type

PhD Type

Research Group. Computing, Informatics and Applications Research Group. Proposed supervisory team. Dr Arooj Fatima ([email protected]).
  Computation study of catalytic surface materials & reactions
  Prof H Kornweitz
Applications accepted all year round

Funding Type

PhD Type

The computational laboratory at the Department of Chemical Science at Ariel University in Israel is seeking a Ph.D. student to conduct a computational research in the area of homogeneous and heterogeneous catalysis, using small molecules and nano-particles.
  High Power Renewable Energy Nano Catalysis – Fundamental and Applied Electrochemistry
  Prof A Schechter
Applications accepted all year round

Funding Type

PhD Type

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 project will develop new ways of assembling structures, forming oligomeric architectures using metal ions and ligands.
  Dr D Preston
Applications accepted all year round

Funding Type

PhD Type

This PhD project is open to students that have graduated or are going to graduate with an Honours or Masters Degree in chemistry, and that are interested in synthetic and metallosupramolecular chemistry.
  Computation-led materials design for heterogeneous catalytic applications
  Dr A Logsdail
Applications accepted all year round

Funding Type

PhD Type

Computation-led materials design for heterogeneous catalytic applications. PhD Supervisor. Dr. Andrew J. Logsdail http://www.cardiff.ac.uk/people/view/481607-logsdail-andrew.
  PhD in Chemistry: Modelling Approaches to p-Xylene Oxidation Catalysis
  Dr A Logsdail, Prof D Wass
Application Deadline: 31 March 2020

Funding Type

PhD Type

This is a collaborative project with industry that seeks to use computational modelling methods to gain deeper insights into what is globally one of the most important petrochemical processes.
  PhD in Chemistry: Understanding heterogeneous catalysis for CO2 utilisation
  Dr DJ Willock
Application Deadline: 1 March 2020

Funding Type

PhD Type

Global warming is a pressing threat to the sustainability of our world. There is a need to reduce the use of fossil fuels and to capture CO2, ideally using it as a chemical feedstock.
  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.
  PhD in Systems Medicine

Funding Type

PhD Type

The PhD Program aims to train young and motivated researchers in the wide field of modern Biomedicine. Curriculum in. Computational Biology, Bioethics & Cognitive sciences, Human Genetics, Molecular Oncology. .
  EMBLA project - RNA Computational Biology
  Dr R Weatheritt
Applications accepted all year round

Funding Type

PhD Type

PhD position is available for a highly motivated trainee in the field of Computational Biology/ Bioinformatics at Neurotranscriptomics Laboratory within the Garvan Institute of Medical Research in Sydney.
  Decoding the Language of Nature: It is time for Artificial Intelligence to predict the function of natural products based on structure
  Prof R Quinn, Dr M Liu, Dr CW Wang
Applications accepted all year round

Funding Type

PhD Type

The profound and specific biological activity of natural products coupled with their immediately recognizable structures suggests a code within these structures that we are not as yet aware of.
  Fully-funded PhD positions in several natural sciences & engineering disciplines

Funding Type

PhD Type

Join an internationally renowned scientific community with the Hector FellowPhD program. PhD students benefit not only from the experience of the program, but also from the network of Hector Fellows.
  Bio-inspired quantum-enhanced light harvesting (EPS2020/22)
  Dr E Gauger
Application Deadline: 28 February 2020

Funding Type

PhD Type

Bio-inspired nanostructures are ideal candidates for quantum-engineered antennae. This project aims to identify ways of harnessing the interplay of quantum effects and dissipation to underpin next-generation technologies for light-harvesting.
  Classical Force Fields to Model Solid-State Molecular Organometallic Chemistry
  Prof S A Macgregor
Application Deadline: 28 February 2020

Funding Type

PhD Type

This project is in computational chemistry and will involve the development of new molecular mechanics force fields to model solid-state molecular organometallic chemistry (SMOM-Chem).
  Computational Photochemical Dynamics of Light Driven Processes
  Dr M Paterson
Application Deadline: 28 February 2020

Funding Type

PhD Type

You will use computational and theoretical chemistry approaches to study excited state dynamics. Important photochemistry such as occurring in photodynamic anti-cancer therapies, and photovoltaic devices will be studied.
  Velocity Map Imaging Study of Atmospherically Relevant Gas Liquid Reactions
  Dr SJ Greaves
Application Deadline: 28 February 2020

Funding Type

PhD Type

You will use state-of-the-art experimental and theoretical methods to study the dynamics of atmospherically relevant reactions that occur at the gas-liquid interface.
  Investigating the contribution of liver endothelial cell gene regulatory networks in hepatic homeostasis and disease
  Dr I Cebola, Prof A Randi, Dr G Birdsey
Application Deadline: 8 March 2020

Funding Type

PhD Type

The Vascular Sciences (National Heart and Lung Institute) and the Genetics & Genomics Sections in the Faculty of Medicine, Imperial College, have combined expertise in translational research and the study of genetic and epigenomic mechanisms that lead to diverse cardiometabolic pathologies.
  EPSRC Centre for Doctoral Training in Nuclear Energy Futures

Funding Type

PhD Type

Applications are invited for four-year fully-funded PhD studentships starting in October 2019 at either Imperial College London, University of Cambridge, University of Bristol, The Open University or Bangor University.
  PhD in the computational design of organic materials
  Dr Kim Jelfs
Applications accepted all year round

Funding Type

PhD Type

A 36 month PhD position in computational chemistry is available within the research group of Dr.
  EPSRC Centre for Doctoral Training in Next Generation Synthesis & Reaction Technology (rEaCt) - 13 Studentship Projects Available

Funding Type

PhD Type

Applications are invited for 13 4-year MRes/Ph.D. EPSRC CDT rEaCt studentship projects – Cohort 2 (Intake October 2020). At least 13 studentships available - click here to view project summaries.
  Attosecond physical phenomena in molecules irradiated with X-ray free-electron lasers
  Dr V Averbukh
Application Deadline: 1 March 2020

Funding Type

PhD Type

Theoretical/computational PhD studentship is available in the area of attosecond physics with free-electron X-ray lasers, in the group of Dr Vitali Averbukh within the Quantum Optics and Laser Science (QOLS) at the Department of Physics of Imperial College London.
  Exploring the fundamental molecular interactions modulating glycocalyx bioactivity
  Dr H Martinez-Seara Monne
Application Deadline: 23 February 2020

Funding Type

PhD Type

Glycocalyx or extracellular matrix is a charged thick layer of biomacromolecules, which is bound to the membrane at the cell surface.
  Artificial Intelligence and Machine Learning for Natural Sciences
  Prof P Friederich
Applications accepted all year round

Funding Type

PhD Type

The recently founded AIMat group at the Karlsruhe Institute of Technology (KIT) is searching for motivated students with a above-average Masters degree in computer science or (computational) natural sciences.
  Computational Materials Design
  Prof W Wenzel
Applications accepted all year round

Funding Type

PhD Type

We are seeking a Ph.D. student for the development of multiscale simulation methods to work in the recently funded excellence cluster at KIT.
  Design and synthesis of novel iron chelators as a therapy for thalassaemia patients.
  Dr S Wren, Dr J Barker, Prof R Singer
Applications accepted all year round

Funding Type

PhD Type

Iron overload can be a huge issue for people coping with thalassaemia. This project will involve the synthesis of novel ion chelators that are effective and ultimately exhibit less side-effects of existing treatments.
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