Computational Chemistry (self) PhD Projects, Programmes & Scholarships

We have 37 Computational Chemistry (self) PhD Projects, Programmes & Scholarships

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AI-directed discovery of self-assembled peptide-peptoid acoustics materials

University of Strathclyde Department of Pure and Applied Chemistry

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Supervisors: Dr K.H.A Lau, Prof T Tuttle

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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Reaction Monitoring and Structural Characterisation of Coordination Driven Self-Assembled Systems by Ion Mobility-Mass Spectrometry

UNSW Sydney School of Chemistry

Can you envisage a world where building a new catalyst or an artificial enzyme is like following an architectural plan for building a house? This is difficult as we don't even fully understand the construction materials! We research the properties of molecular building-blocks and their "constructed" aggregates, towards drawing up these type of blueprints. Read more

Supervisor: Dr N Rijs

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Design and control of nanoparticle structuring and self-organisation

University of Strathclyde Department of Chemical and Process Engineering

Nature forms many materials which possess intricate structures on length scales from nanometres to many microns, which are important in applications ranging from biological systems to porous materials for energy storage. Read more

Supervisor: Dr L Lue

Year round applications PhD Research Project Self-Funded PhD Students Only

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Design and study of modified peptide foldamers

Aberdeen University School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Dr L Trembleau, Dr H Deng

Year round applications PhD Research Project Self-Funded PhD Students Only

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Impact of helium from nuclear transmutation and from plasma on tritium trapping in fusion structural and plasma-facing component

University of Birmingham School of Metallurgy & Materials

Background. Future fusion energy concepts such as ITER, DEMO or STEP rely upon deuterium-tritium (D-T) fusion reaction, which holds the promise of generating limitless clean energy. Read more

Supervisor: Prof A B Bhattacharya

30 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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New Methods for modelling cofactor-dependent enzyme structure and function

The University of Manchester Department of Chemistry

Enzymes are Nature’s catalysts and many used cofactors and/or coenzymes to catalyse their reactions. While AI and homology methods now often allow the useful prediction of protein structure from amino acid sequence, this can be more challenging when the protein/enzyme contain cofactors. Read more

Supervisor: Prof S Hay

27 October 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Design and engineering of peptides and proteins to create artificial metalloenzymes

Cardiff University Cardiff School of Chemistry

The Rhys lab is an exciting new lab looking to recruit new students to design and engineer peptides and proteins for new applications (rhyslab.com). Read more

Supervisor: Dr G Rhys

Year round applications PhD Research Project Self-Funded PhD Students Only

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PhD in Chemistry: Structural effects in alternating biodegradable polymers

Cardiff University Cardiff School of Chemistry

Dr Alison Paul Dr Alison Paul - People - Cardiff University is looking for a PhD student to join the Soft Matter Research Group for a project on “Structural effects in alternating biodegradable polymers”. Read more

Supervisor: Dr A Paul

Year round applications PhD Research Project Self-Funded PhD Students Only

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PhD in Chemistry - Microwave assisted synthesis of doped semiconductors for photocatalytic applications

Cardiff University Cardiff School of Chemistry

Microwave assisted synthesis of doped semiconductors for photocatalytic applications. Read more

Supervisor: Dr J Edwards

Year round applications PhD Research Project Self-Funded PhD Students Only

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Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

University of Warwick Department of Chemistry

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Supervisor: Dr BK Karasulu

3 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

University of Liverpool Department of Chemistry

This studentship will explore experimental and computational Nuclear Magnetic Resonance (NMR) spectroscopy approaches to probe the fast oxide ion transport (e.g., self-diffusion coefficients, diffusion pathways, dimensionality of motion) of oxide in inorganic materials aimed at establishing design rules for the discovery of next generation fast conductors. Read more

Supervisors: Prof F Blanc, Dr M Dyer

30 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Development of bespoke algorithms for autonomous optimisation in flow

University of Liverpool Department of Chemistry

A key challenge in materials science is how to efficiently and sustainably arrive at the optimal conditions for material production. Read more

Supervisor: Dr A Slater

30 June 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Novel materials-modelling strategies to guide experimental design and optimisation of high-entropy alloys

The University of Manchester Department of Chemistry

High-entropy alloys (HEAs) are a new class of crystalline materials incorporating five or more components distributed homogenously over atomic sites. Read more

Supervisors: Dr J Skelton, Dr D Lewis

31 July 2024 PhD Research Project Self-Funded PhD Students Only

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Theory and simulation of the ferro-electric nematic phase

The University of Manchester Department of Chemical Engineering

Liquid crystals turn up everywhere. They are the main constituent of displays, they are used in television screens and many health care products are liquid crystalline. Read more

Supervisor: Prof A Masters

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Computational Screening of Supercapacitors

Heriot-Watt University School of Engineering & Physical Sciences

In order to be self-sufficient with relatively constant energy output, renewable energy sources, such as solar and wind, require that energy be stored during periods of high energy production so that it can be available during periods of low or zero energy production. Read more

Supervisor: Prof PT Cummings

Year round applications PhD Research Project Funded PhD Project (Students Worldwide)

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We have 37 Computational Chemistry (self) PhD Projects, Programmes & Scholarships

Computational Chemistry (self) PhD Projects, Programmes & Scholarships

We have 37 Computational Chemistry (self) PhD Projects, Programmes & Scholarships

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