Computational Chemistry PhD Research Projects for Non-European Students in Liverpool

We have 15 Computational Chemistry PhD Research Projects for Non-European Students in Liverpool

Computational exploration of substrates and interfaces for thin film solar cells

University of Liverpool Department of Chemistry

To address the challenge of net-zero carbon a diverse energy generation landscape is required of which photovoltaics (PV) is a major constituent. Read more

Supervisors: Dr M Dyer, Dr T Manning

31 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Digital Routes to Next Generation Solid Oxide Electrolysis Cells

University of Liverpool Department of Chemistry

A key technology in the drive towards net-zero emissions is the production of green hydrogen by electrolysis powered by renewable energy. Read more

Supervisors: Prof M J Rosseinsky, Dr B Peng

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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Predictive molecular models of high-performance elastomers in demanding environments

University of Liverpool Department of Chemistry

High-performance elastomers enable some of the most sophisticated modern technology. They are designed to operate in the often-punishing environments such as those encountered in aerospace industries. Read more

Supervisor: Prof R Boulatov

30 June 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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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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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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Accelerating energy landscape exploration through optimisation, approximation and parallelisation

University of Liverpool School of Electrical Engineering, Electronics and Computer Science

Many heuristic methods (random walks, probabilistic selection, genetic algorithms) for energy landscape exploration in Crystal Structure Prediction (CSP) [1] are very important material discovery tools [2]. Read more

Supervisor: Prof I Potapov

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

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Deploying safer robot chemists in real laboratory environments

University of Liverpool School of Electrical Engineering, Electronics and Computer Science

Robotic chemists [1] are a totally new and disruptive development in human-centric labs, and these systems are already beginning to carry out complex experiments that require skills beyond sample transportation (e.g., sample weighing [2] and scraping samples from vials [3]. Read more

Supervisor: Dr G Pizzuto

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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Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

University of Liverpool Department of Chemistry

This project, suited to a student with a Computer Science or Mathematics background, will formally define the nature and consequences of the decisions that need to be made in the automated workflow and identify both the optimal combination of existing methods and tools to accelerate discovery and the gaps in capability that currently exist. Read more

Supervisors: Prof RIJ Ibsen-Jensen, Prof M J Rosseinsky

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

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Automated experimental functional materials discovery for net zero technologies

University of Liverpool Department of Chemistry

The discovery of materials that will drive technologies for the net zero transition, such as batteries, solar absorbers, rare-earth-free magnets for wind power and myriad other unmet needs, is a scientific and societal grand challenge that requires experimental realisation of materials in the laboratory. Read more

Supervisor: Prof M J Rosseinsky

30 June 2024 PhD Research Project 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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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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We have 15 Computational Chemistry PhD Research Projects for Non-European Students in Liverpool

Computational Chemistry PhD Research Projects for Non-European Students in Liverpool

We have 15 Computational Chemistry PhD Research Projects for Non-European Students in Liverpool

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