Computational Chemistry (interaction) PhD Projects, Programmes & Scholarships

We have 11 Computational Chemistry (interaction) PhD Projects, Programmes & Scholarships

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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Impact of helium from nuclear transmutation and from plasma on tritium trapping in fusion structural and plasma-facing component

University of Birmingham School of Metallurgy & Materials

Background. Future fusion energy concepts such as ITER, DEMO or STEP rely upon deuterium-tritium (D-T) fusion reaction, which holds the promise of generating limitless clean energy. Read more

Supervisor: Prof A B Bhattacharya

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

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Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

University of Edinburgh School of Engineering

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

Supervisor: Dr ER Ricci

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

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Uncertainty quantification for machine learning models of chemical reactivity

University of Nottingham School of Chemistry

In this PhD project, we will develop and implement approaches for estimating the uncertainty in AI predictions of chemical reactivity, to help strengthen the interaction between human chemists and machine learning algorithms and to assess when AI predictions are likely to be correct and when, for example, first principles quantum chemical calculations might be helpful. Read more

Supervisors: Prof J D Hirst, Dr S Preston

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

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Computational Modelling of Organometallic Reactivity and Catalysis

University of St Andrews School of Chemistry

A PhD position is available in the group of Prof. Stuart Macgregor to work on the computational modelling of organometallic reactivity and catalysis. Read more

Supervisor: Prof S Macgregor

26 April 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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Design and control of nanoparticle structuring and self-organisation

University of Strathclyde Department of Chemical and Process Engineering

Nature forms many materials which possess intricate structures on length scales from nanometres to many microns, which are important in applications ranging from biological systems to porous materials for energy storage. Read more

Supervisor: Dr L Lue

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

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Understanding shale rock swelling for energy systems: novel integrated modelling and experimental approaches

The University of Manchester Department of Chemistry

A fully funded PhD position is available in the group of Professor Carbone (Department of Chemistry) and Professor Taylor (Department of Earth Science) at the University of Manchester starting from September 2024. Read more

Supervisors: Dr P Carbone, Prof K Taylor

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

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Rational Control of Crystal Morphology

University of Bradford Faculty of Life Sciences

Research Group: Chemistry and Biosciences

The external shape of crystalline particles (called morphology) is of paramount importance in a wide range of applications, in particular pharmaceuticals and pigments. Read more

Supervisor: Dr C Seaton

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

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Antimatter Chemistry: computational studies of matter-antimatter interactions

Aberdeen University School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Dr M Law, Dr W T A Harrison

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

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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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We have 11 Computational Chemistry (interaction) PhD Projects, Programmes & Scholarships

Computational Chemistry (interaction) PhD Projects, Programmes & Scholarships

We have 11 Computational Chemistry (interaction) PhD Projects, Programmes & Scholarships

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