Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences

30 Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences. Empowering Curious Researchers at the Vienna BioCenter PhD Program. Read more

Funded PhD Programme (Students Worldwide) International PhD Programme Austria PhD Programme

More Details

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)

More Details

IMPRESSION+GAMES - A Generative Machine Learning System to Elucidate Chemical Structures

University of Bristol Chemistry

Applications are invited for a studentship starting, ideally, on 16 September 2024, to be supervised by Professor Craig Butts (University of Bristol). Read more

Supervisor: Prof C Butts

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

More Details

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)

More Details

Last chance to apply

Molecular networks rethought

Max Planck Institute for Chemical Ecology International Max Planck Research School

Background. Mass spectrometry (MS) is the analytical platforms of choice for high-throughput screening of small molecules. Molecular networks have found widespread application in untargeted metabolomics, natural products research and related areas. Read more

Supervisors: Prof S Böcker, Prof G. Pohnert

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

More Details

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)

More Details

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)

More Details

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

More Details

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)

More Details

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)

More Details

Last chance to apply

Barocaloric organic ionic plastic crystals and prototype development

University of Edinburgh School of Chemistry

A PhD studentship is available in the group of Dr Claire L. Hobday (School of Chemistry, The University of Edinburgh; ( http://www.chem.ed.ac.uk/staff/academic-staff/dr-claire-hobday ) in collaboration with Sunamp, UK (https://sunamp.com/#home/ ). Read more

Supervisor: Dr C Hobday

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

More Details

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)

More Details

AI-directed discovery of self-assembled peptide-peptoid acoustics materials

University of Strathclyde Department of Pure and Applied Chemistry

Overview. Read more

Supervisors: Dr K.H.A Lau, Prof T Tuttle

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

More Details

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)

More Details

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)

More Details

We have 22 Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

We have 22 Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences

Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

IMPRESSION+GAMES - A Generative Machine Learning System to Elucidate Chemical Structures

CDT-QTE: Quantum Spin Dynamics and How to Make it Faster

Molecular networks rethought

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

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

Elucidating molecular transport mechanisms through atomistic simulations

CDT-QTE: Magnetic Resonance Spectroscopy & Imaging at the Quantum Mechanical Performance Limit

CDT-QTE: Quantum control of magnetic processes

Barocaloric organic ionic plastic crystals and prototype development

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

AI-directed discovery of self-assembled peptide-peptoid acoustics materials

Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

Automated experimental functional materials discovery for net zero technologies

We have 22 Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

We have 22 Computational Chemistry (scientific) PhD Projects, Programmes & Scholarships

Select your nearest city

Do you want hassle-free information and advice?