Computational Chemistry (industrial design) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (industrial design) PhD Projects, Programmes & Scholarships

PhD in Chemistry: Computational design of new heterogeneous catalysts to support net zero: conversion of CO2 to methanol

Cardiff University Cardiff School of Chemistry

Computational design of new heterogeneous catalysts to support net zero. conversion of CO2 to methanol . PhD Supervisor. Dr. Read more

Supervisor: Dr A Logsdail

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

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Modelling exsolution: materials design for sustainable energy

University of Strathclyde Department of Chemical and Process Engineering

One of the primary challenges for the global community is the supply of plentiful and affordable energy, moving the world away from dependence on fossil fuels by providing green alternatives. Read more

Supervisors: Dr P Mulheran, Dr D Neagu

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

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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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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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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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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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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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Absorption of gases in nano-confined liquids studied by total neutron scattering

The University of Manchester Department of Chemical Engineering

Advances in gas capture and storage research directly contribute to lowering the impact of industrial chemical processes on climate change and enable the move towards Net Zero goals. Read more

Supervisors: Dr M Falkowska, Dr T Hughes, Prof C Hardacre

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

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Designing Structured Surfaces with Superwettability Properties

University of Edinburgh School of Engineering

The wetting behaviours of liquids on solid surfaces play an important role for a wide range of engineering applications, including coatings, electronics, oil recovery, microfluidics, and inkjet printing. Read more

Supervisors: Prof HK Kusumaatmaja, Prof G McHale

16 January 2025 PhD Research Project Self-Funded PhD Students Only

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EPSRC Centre for Doctoral Training in Technology Enhanced Chemical Synthesis (TECS)

University of Bristol School of Chemistry

Our PhD programme combines world-leading research in Chemical Synthesis with state-of-the-art training in technology and automation to prepare you for a career in modern synthetic chemistry, whether in industry or academic research. Read more

Funded PhD Programme (Students Worldwide) EPSRC Centre for Doctoral Training

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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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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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We have 19 Computational Chemistry (industrial design) PhD Projects, Programmes & Scholarships

Computational Chemistry (industrial design) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (industrial design) PhD Projects, Programmes & Scholarships

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