Computational Chemistry (e) PhD Projects, Programmes & Scholarships

We have 34 Computational Chemistry (e) PhD Projects, Programmes & Scholarships

Electron Driven Chemistry in the Interstellar Medium

University of Edinburgh School of Chemistry

A PhD studentship is available joint between the groups of Cate Anstöter and Ewen Campbell, School of Chemistry, University of Edinburgh, see https://isla-edi.com/ . Read more

Supervisors: Dr C Anstoter, Dr E Campbell

30 August 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

University of Warwick Department of Chemistry

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Supervisor: Dr BK Karasulu

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

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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

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

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In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Maastricht University Cardiovascular Research Institute Maastricht (CARIM)

Applications can only be submitted via our website. The specific position for Doctoral Candidate 6 (DC6) in the consortium, which is part of Work Package 2 (WP2), aims. Read more

Supervisor: Dr G Nicolaes

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

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Design and Synthesis of Peptide-derived Receptors for Binding Small Molecules

University of Edinburgh School of Chemistry

A PhD studentship is available in the groups of Prof. Scott Cockroft and Dr Annamaria Lilienkampf School of Chemistry, The University of Edinburgh; https://www.cockroft.chem.ed.ac.uk in collaboration with DSTL. Read more

Supervisors: Prof S L Cockroft, Dr AL Lilienkampf

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

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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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Elucidating molecular transport mechanisms through atomistic simulations

University of Edinburgh School of Engineering

Membrane-based processes for water treatment, such as reverse osmosis (RO), hold promise in tackling water scarcity locally and globally. Read more

Supervisors: Dr S Romero-Vargas Castrillon, Dr R Pillai

6 December 2024 PhD Research Project Self-Funded PhD Students Only

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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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Operando Photoelectrochemical-X-Ray-Spectroscopies-Led Rational Discovery of New Pyrochlore Oxides for Water Electrolysis (DIA24/EE/MPEE/TIWARI)

Northumbria University Faculty of Engineering and Environment

The Scientific Premise. Amid escalating climate changes linked to global warming, the quest to efficiently convert solar energy into chemical fuel has never been more critical. Read more

Supervisor: Dr D Tiwari

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

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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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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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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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(University of Manchester - University of Tokyo Dual Award) Diversifying Antitumor Drugs through the Integration of Synthetic Biology and Chemo-enzymatic Approaches

The University of Manchester Department of Chemistry

Ecteinascidin 743 (ET-743, Trabectedin) is a marine-derived natural organic compound approved for the treatment of soft tissue sarcomas. Read more

Supervisors: Prof E Takano, Prof H Oguri

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

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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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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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We have 34 Computational Chemistry (e) PhD Projects, Programmes & Scholarships

Computational Chemistry (e) PhD Projects, Programmes & Scholarships

We have 34 Computational Chemistry (e) PhD Projects, Programmes & Scholarships

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