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We have 58 Computational Chemistry (international students) PhD Projects, Programmes & Scholarships

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Computational Chemistry (international students) PhD Projects, Programmes & Scholarships

We have 58 Computational Chemistry (international students) PhD Projects, Programmes & Scholarships

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ZENITH PhD Project: Hydrodynamic and thermal performance of liquid hydrogen in cryogenic tanks

University of Bath Department of Chemical Engineering
The Department of Mechanical Engineering at the University of Bath is inviting applications for this funded PhD project expected to start in September 2024. Read more
 Supervisors: Prof J Chew, Dr C Moreno, Dr ATR Rhead
 30 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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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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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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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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CDT-QTE: Quantum Spin Dynamics and How to Make it Faster

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more
 Supervisor: Dr I Kuprov
 31 August 2024  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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CDT-QTE: Magnetic Resonance Spectroscopy & Imaging at the Quantum Mechanical Performance Limit

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more
 Supervisor: Dr I Kuprov
 31 August 2024  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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CDT-QTE: Quantum control of magnetic processes

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more
 Supervisor: Dr I Kuprov
 31 August 2024  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Large-scale electrochemical DFT models of a PEM hydrogen fuel cell

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team: Chris-Kriton Skylaris (90%) Andrea Russell (10%). Project description. Proton-exchange Membrane (PEM) hydrogen fuel cells are an emerging technology for environmentally sustainable transport and other carbon-neutral energy applications. Read more
 Supervisor: Prof C K Skylaris
 31 August 2024  PhD Research Project  Competition Funded PhD Project (European/UK 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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