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We have 25 Computational Chemistry (innovation research) PhD Projects, Programmes & Scholarships

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Computational Chemistry (innovation research) PhD Projects, Programmes & Scholarships

We have 25 Computational Chemistry (innovation research) PhD Projects, Programmes & Scholarships

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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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Polymeric materials in extreme environments: An exploration of polymer network structure in high-performance epoxy-amine thermosets for use in marine environments (Ref:RDFC24/HLS/APP/UNTHANK)

Northumbria University Faculty of Health and Life Sciences
This fully funded PhD studentship will explore the fundamental material, molecular and network-forming properties that deliver optimal performance in epoxy-amine thermoset polymer coatings. Read more
 Supervisors: Prof M Unthank, Dr M Sims
 29 April 2024  PhD Research Project  Funded PhD Project (UK Students Only)
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Discover doctoral opportunities at the Information School

University of Sheffield Information School
The Information School. A long established and highly respected department, the Information School is the number one department of its kind in Europe, and second in the world according to the QS World University Rankings by Subject 2019. Read more
 Funded PhD Programme (European/UK Students Only)  Social Sciences Research Programme
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Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences

Vienna Biocenter
30 Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences. Empowering Curious Researchers at the Vienna BioCenter PhD Program. Read more
 Funded PhD Programme (Students Worldwide)  International PhD Programme  Austria PhD Programme
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In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Maastricht University Cardiovascular Research Institute Maastricht (CARIM)
Applications can only be submitted via our website. The specific position for Doctoral Candidate 6 (DC6) in the consortium, which is part of Work Package 2 (WP2), aims. Read more
 Supervisor: Dr G Nicolaes
 30 April 2024  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Non-Metal Organic Frameworks for proton and ion conduction

University of Liverpool Department of Chemistry
We have recently developed a novel class of porous materials, non-metal organic frameworks [1], that display remarkable proton and ion conduction properties. Read more
 Supervisors: Prof A I Cooper, Dr LJ Hardwick
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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Simulating Dynamic Battery Interfaces: In Search of Next Generation Lithium Batteries

University of Liverpool School of Engineering
Improving battery technologies is essential to power the next generation of electric vehicles, and for future energy storage systems that will facilitate the transition to net-zero. Read more
 Supervisors: Dr AF Finney, Prof LH Hardwick
 31 May 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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Digital discovery of new photocatalysts for photoredox catalysis (EPSRC CDT PhD studentship in collaboration with AstraZeneca)

University of Liverpool Department of Chemistry
Photoredox catalysis has come to the forefront in organic synthesis as a powerful strategy for the activation of small molecules [1]. Read more
 Supervisors: Dr JW Ward, Prof A Troisi
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

The University of Manchester Department of Chemical Engineering
In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more
 Supervisors: Dr S Xu, Prof C Hardacre, Prof R Catlow
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

The University of Manchester Department of Chemical Engineering
In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more
 Supervisors: Dr S Xu, Prof C Hardacre
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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New methods for modelling radionuclide binding proteins

The University of Manchester Department of Chemistry
The management of radioactively contaminated land and water is a multi-billion pound, 100+ year grand challenge that requires innovation to minimise costs. Read more
 Supervisors: Prof S Hay, Dr L Natrajan
 Year round applications  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Digital Exploration of Novel Polymeric Materials for Structural Composites

University of Liverpool Department of Chemistry
Structural composites materials are used in a vast number of applications from aerospace to sport and recreation. Read more
 Supervisors: Dr N Berry, Dr T Hasell
 30 June 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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Explaining structure-property relations in the materials space

University of Liverpool Department of Chemistry
This project aims to explain important materials properties from geometric invariants of crystal structures. Read more
 Supervisors: Dr V Kurlin, Prof A I Cooper
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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High-throughput first-principle simulations of charge transport in organic semiconductors

University of Liverpool Department of Mathematical Sciences
This project focuses on application of first-principle, fully quantum simulation methods such as Hybrid Monte-Carlo to study charge transport in a vast class of quasi-2D molecular organic semiconductors (rubrene, pentacene, and >4000 other materials). Read more
 Supervisors: Dr P Buividovich, Prof A Troisi
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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