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Computational Chemistry PhD Projects, Programs & Scholarships

We have 167 Computational Chemistry PhD Projects, Programs & Scholarships

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Showing 121 to 150 of 167
  KESS2 Scholarship: Machine Learning in 3D Wound Care (MastersbyResearch)
  Prof J Kenkre
Application Deadline: 31 May 2020

Funding Type

PhD Type

Here is an exciting opportunity to apply computerised machine-learning technology to improve the automated clinical assessment of chronic skin wounds and ulcers.
  Crystal structure prediction based NMR crystallography
  Dr G Day
Applications accepted all year round

Funding Type

PhD Type

Project description. A fully funded 4 year PhD studentship is available in computational materials chemistry at the University of Southampton.
  Identification of Synthesisable Predicted Crystal Structures for Functional Materials Discovery
  Dr G Day
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof. Graeme Day. Project description. Materials impact most aspects of our lives, including healthcare, energy production, data storage and pollution control.
  PhD Studentship – Predicting Skin Interactions and Permeation of Chemical Agents using Computational Modelling
  Prof J W Essex
Applications accepted all year round

Funding Type

PhD Type

Co-Supervisor. Dr Thomas J Piggot (Dstl). The skin is the outermost barrier for most of the human body. The majority of chemicals that come into contact with the body will initially do so through an interaction with the skin.
  Quantum simulations for the catalysts of the future
  Prof C K Skylaris
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Chris-Kriton Skylaris (90%). Co-supervisor Peter Wells (10%). Project description. Catalysis in a multibillion dollar industry, at the core of many modern environmentally friendly technologies such as fuel cells, car catalysts and production of commodity chemicals under environmentally benign conditions.
  Theory and Methodology for Nuclear Spins Diffusing in Porous Media
  Dr G Pileio
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Giuseppe Pileio. Co-supervisor Marcel Utz. Project description.
  Dissipative particle dynamics (DPD)
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Project description. Scaling simulations of biological and chemical systems is reaching limits. the computational cost of simulating a physical system scales at least as fast as the cube of its linear dimension.
  NEUROSCAPE - a Virtual Reality Artificial Environment for simulated neural development studies
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Graeme Bragg, Professor John Chad. Project description.
  Protein ghost recognition using deep learning
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Project description. POETS (Partially Ordered Event Triggered Systems) technology is based on the idea of an extremely large number (millions) of small processing cores, embedded in a fast, bespoke, hardware, parallel communications infrastructure – the core mesh.
  Real-time simulation of large neural aggregates
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Graeme Bragg,. Project description.
  Real-Time System Management for Asynchronous Hardware
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor. Dr Mark Vousden, Dr Graeme Bragg. Project description.
  Runtime Performance and Energy Optimisation of Massively Parallel Asynchronous Systems
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Graeme Bragg. Project description. POETS - Partial Ordered Event Triggered Systems - technology is based on the idea of an extremely large number (millions) of small cores, embedded in a fast, bespoke, hardware, parallel communications infrastructure - the core mesh.
  Event-based Micromagnetic Simulation of Spintronic Devices
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Mark Vousden. Project description. POETS - Partial Ordered Event Triggered Systems - technology is based on the idea of an extremely large number (millions) of small cores, embedded in a fast, bespoke, hardware, parallel communications infrastructure - the core mesh.
  Four Year PhDs in Cancer, Immunology and Biomedicine

Funding Type

PhD Type

The Faculty of Medicine at the University of Southampton has a strong reputation in research, enterprise and education, with an emphasis on translating new discoveries from basic science into clinical innovation.
  Atomic/Molecular insights into the formation of valuable products from waste biomass
  Dr X Zhang
Applications accepted all year round

Funding Type

PhD Type

Lignocellulosic biomass is a green alternative fossil resource to produce fuels (e.g. transport fuel, aviation fuel) and value-added products (e.g.
  Computational design of bio-inspired silica materials for carbon capture
  Dr M Jorge
Applications accepted all year round

Funding Type

PhD Type

Materials that are porous at the nanoscale are used in a wide variety of applications, like gas separation, carbon capture, catalysis and drug delivery.
  Design of functional chitosan films: antimicrobial and heavy metal capture applications
  Dr P Mulheran, Dr V A Ferro
Applications accepted all year round

Funding Type

PhD Type

Chitosan is a biodegradable polymer obtained from natural, abundant and renewable sources. Chitosan has been the focus of much research into its applications as an antimicrobial, and for its ability to capture heavy metals from contaminated water.
  Designing colloidal films and membranes with complex interactions
  Dr M Haw
Applications accepted all year round

Funding Type

PhD Type

Porous films and membranes are important for applications such as adsorbing, separating and storing gases, cleaning water and soils, sensor devices and many others.
  Developing a multiscale description of complex fluids from the molecular to the continuum scales
  Dr L Lue, Dr D Kivotides
Applications accepted all year round

Funding Type

PhD Type

Engineers have traditionally used continuum equations to model processes, such as the Navier-Stokes equation for fluid flow. These methods require constitutive relations that encode the properties of the fluid; these are typically determined empirically and have limited predictive capabilities.
  Direct numerical simulation of polymeric-fluid flows
  Dr D Kivotides, Dr P Grassia
Applications accepted all year round

Funding Type

PhD Type

Polymers and turbulence are two of the most difficult problems in statistical physics. In the past, the study of polymeric liquids was divided in two categories.
  Inhibiting amyloid development using natural compounds: a molecular dynamics study
  Dr P Mulheran, Dr V A Ferro
Applications accepted all year round

Funding Type

PhD Type

Amyloid fibrils are highly ordered protein aggregates associated with many neurodegenerative diseases such as Alzheimer’s. Flavanoids, which are polyphenols such as curcumin present in the human diet, have been shown to inhibit fibril formation in tau protein which is abundant in neurons.
  Modelling the effect of the electric double layer on electron transfer kinetics
  Dr L Lue
Applications accepted all year round

Funding Type

PhD Type

Electron transfer between molecules in solution and a surface (e.g., a metallic electrode or semiconducting substrate) occurs in a wide variety of important areas, including catalysis, corrosion, electrodeposition, photochemistry, etc.
  Predicting drug solubility in different solvents using molecular simulation and machine learning
  Dr M Jorge, Dr C Price
Applications accepted all year round

Funding Type

PhD Type

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1].
  Sustainable paper making using foam
  Dr P Grassia, Dr L Lue
Applications accepted all year round

Funding Type

PhD Type

Despite the advent of 21st century electronic communications, paper remains one of the most widely utilised materials in the world.
  System design on co-production of transport fuel and value-added chemicals from waste biomass
  Dr X Zhang
Applications accepted all year round

Funding Type

PhD Type

There is a national and global imperative to reduce reliance upon fossil fuels and, at the same time, to improve the efficiency of natural and renewable resource utilisation.
  New Iridium-based Catalysis Methods for C-C, C-N, and C-O Bond Formation
  Prof W Kerr
Applications accepted all year round

Funding Type

PhD Type

A fully funded, industry-linked PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde under the supervision of Professor William J.
  New Iridium-based Catalysts for Atom Economical C-O and C-N Bond Formation
  Prof W Kerr
Applications accepted all year round

Funding Type

PhD Type

A fully funded, industry-linked, PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde under the supervision of Professor William J.
  New Metal-mediated Cyclisation Methods for the Generation of Heteroatom Functionalised Polycyclic Systems
  Prof W Kerr
Applications accepted all year round

Funding Type

PhD Type

A fully funded, industry-linked PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde under the supervision of Professor William J.
  PhD Studentship Opportunity in Computational Design of Sustainable 2D Catalysts
  Dr M Sacchi
Application Deadline: 22 April 2020

Funding Type

PhD Type

Catalysis is ubiquitous in chemistry and biology. Catalysts allows chemical transformations to proceed at a faster rate by lowering the overall energy demand for several energy-intensive chemical mechanism, such as those involving covalent bond breaking.
  PhD Studentship Opportunity in Highly efficient photons detection in retina
  Dr M Shkunov, Prof C Lane
Application Deadline: 19 April 2020

Funding Type

PhD Type

This project aims to translate understanding of nature’s exceptionally efficient phototransduction processes in animal retinas to synthetic photo-systems, leading to bio-compatible devices, such as artificial retinas, which do not require external wiring and are capable of restoring lost vision in humans.
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