Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Cardiff University Cardiff School of Chemistry

Dr Yi-Lin Wu - People - Cardiff University is looking for a PhD student to work on the research project “Enhancing organic room-temperature phosphorescence through supramolecular approaches.” The project involves the design and synthesis of triplet-forming organic chromophores and the investigation of their photophysical properties induced by supramolecular interactions. Read more

Supervisor: Dr Y Wu

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

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Machine learning algorithms for ab initio-based paramagnetic NMR analysis

University of Bath Department of Chemistry

The University of Bath is inviting applications for the following PhD project under the supervision of Dr Elizaveta Suturina in the Department of Chemistry. Read more

Supervisor: Dr E A Suturina

28 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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PhD in Chemistry: Three-dimensional imaging of nanoparticles in liquid environments

Cardiff University Cardiff School of Chemistry

This project aims to develop new techniques in electron microscopy to characterise the structure of nanoparticles in a variety of liquids. Read more

Supervisor: Dr T Slater

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

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PhD in Chemistry: Computer simulation of metal-amyloid interaction and its role in plaque formation

Cardiff University Cardiff School of Chemistry

Alzheimer’s disease is one of the greatest healthcare challenges facing 21st century society. AD is associated with formation of fibrils and plaques in brain tissue that impair proper functioning of neurons. Read more

Supervisor: Prof J Platts

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

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Understanding decoupled electrochemistry for energy storage, conversion and electrosynthesis

Lancaster University Department of Chemistry

Background. Decoupled electrochemistry is broadly the process of using a mediating chargeable redox species to drive an electrochemical process with a freely dispersed catalyst instead of a reaction directly at an electrode. Read more

Supervisor: Prof K Toghill

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

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Faculty of Science, Masaryk University

Masaryk University

Embark on an enriching academic journey with our esteemed doctoral degree programs in various scientific fields. Read more

Funded PhD Programme (Students Worldwide) Social Sciences Research Programme

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(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

The University of Manchester Faculty of Biology, Medicine and Health

We are often taught about the power of enzymes to select particular substrates from the biological milieu and of their ability to perform highly selective reactions on those substrates. Read more

Supervisors: Dr A Leach, Dr S De Visser, Dr C Trujillo

13 May 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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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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(University of Manchester - University of Tokyo Dual Award) Light- and Pressure-Controllable Magnets

The University of Manchester Department of Chemistry

This project tackles the complex interplay between light, pressure and magnetism, which lies at the heart of modern materials science, through the exploration of light- and pressure-responsive molecular magnets. Read more

Supervisors: Dr J Skelton, Prof S Ohkoshi

29 April 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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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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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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We have 12 Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

We have 12 Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Machine learning algorithms for ab initio-based paramagnetic NMR analysis

PhD in Chemistry: Three-dimensional imaging of nanoparticles in liquid environments

PhD in Chemistry: Computer simulation of metal-amyloid interaction and its role in plaque formation

Understanding decoupled electrochemistry for energy storage, conversion and electrosynthesis

Faculty of Science, Masaryk University

(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

(University of Manchester - University of Tokyo Dual Award) Light- and Pressure-Controllable Magnets

Accelerating energy landscape exploration through optimisation, approximation and parallelisation

High-throughput first-principle simulations of charge transport in organic semiconductors

Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

We have 12 Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

We have 12 Inorganic Chemistry (theoretical chemistry) PhD Projects, Programmes & Scholarships

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