Physical Chemistry (computational physics) PhD Projects, Programmes & Scholarships

We have 34 Physical Chemistry (computational physics) PhD Projects, Programmes & Scholarships

Multiple PhD Positions at the International Max Planck Research School (IMPRS) for Quantum Dynamics and Control (QDC) in Dresden, Germany

Max Planck Institute for the Physics of Complex Systems

We are looking for highly talented and motivated students from all around the world. The standard. entrance qualification is a master's degree (or an equivalent university degree, e.g., German “Diplom”). Read more

Awaiting Funding Decision/Possible External Funding Max Planck Research Programme

More Details

Functional Materials Discovery Using Artificial Intelligence

University of Strathclyde Department of Chemistry

A fully funded PhD studentship (3 years) in computational chemistry (materials discovery) is open at the University of Strathclyde commencing October 2024. . Read more

Supervisor: Dr T Nematiaram

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

More Details

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)

More Details

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

More Details

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

More Details

Experimental Discovery of New Ionic Conducting Materials Towards Net-Zero Technologies

University of Liverpool Department of Chemistry

Materials that allow the rapid motion of ions are essential for the new energy technologies needed to meet the challenge of net zero, such as batteries, fuel cells and electrolysers for green hydrogen. Read more

Supervisors: Prof M J Rosseinsky, Dr J Claridge

31 July 2024 PhD Research Project Funded PhD Project (Students Worldwide)

More Details

Last chance to apply

PhD Studentship in Understanding non-equilibrium dynamics using Quantum dynamics

Newcastle University School of Natural and Environmental Sciences

Award summary . 100% of home fees covered, and a minimum tax-free annual living allowance of £19,237 (2024/25 UKRI rate). . Read more

Supervisor: Prof T J Penfold

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

More Details

Digital Routes to Next Generation Solid Oxide Electrolysis Cells

University of Liverpool Department of Chemistry

A key technology in the drive towards net-zero emissions is the production of green hydrogen by electrolysis powered by renewable energy. Read more

Supervisors: Prof M J Rosseinsky, Dr B Peng

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

More Details

Predicting drug solubility in different solvents using molecular simulation and machine learning

University of Strathclyde Department of Chemical and Process Engineering

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more

Supervisors: Dr M Jorge, Prof C Price

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

More Details

Simulating Dynamic Battery Interfaces: In Search of Next Generation Lithium Batteries

University of Liverpool School of Engineering

Improving battery technologies is essential to power the next generation of electric vehicles, and for future energy storage systems that will facilitate the transition to net-zero. Read more

Supervisors: Dr AF Finney, Prof LH Hardwick

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

More Details

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Supervisor: Prof C K Skylaris

31 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

More Details

Experimental discovery of new Inorganic Materials for Net Zero Technologies

University of Liverpool Institute of Life Course and Medical Sciences

The experimental discovery of new inorganic materials shows us how crystal structure and chemical composition control physical and chemical properties. Read more

Supervisors: Prof M J Rosseinsky, Dr LD Daniels, Dr J Claridge

31 July 2024 PhD Research Project Funded PhD Project (Students Worldwide)

More Details

Property-driven generative machine learning for tailored materials design

University of Warwick Department of Chemistry

A fully funded 4-year PhD project in property-driven generative machine learning for tailored materials design is available with a flexible 2023-2024 start date. Read more

Supervisor: Dr R J Maurer

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

More Details

Optimisation of impinging jets for reduction of deposit formation

University of Sheffield Department of Mechanical Engineering

We are excited to offer a fully funded PhD opportunity in Mechanical Engineering at The University of Sheffield for someone with a passion for computational fluid dynamics modelling. Read more

Supervisors: Dr R Yuan, Dr S Siouris

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

More Details

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)

More Details

Bottom-Up Construction of a Synthetic Gap Junction

King’s College London School of Natural & Mathematical Sciences

Gap junctions play a crucial role in cellular communication, facilitating direct intercellular exchange of ions and small molecules. Read more

Supervisors: Prof M Wallace, Prof C Lorenz, Dr J Burrone

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

More Details

Defining the state-of-the-art in X-ray and electron spectroscopies for discerning the characteristic electronic structure of actinide materials

The University of Manchester Department of Chemistry

An EPSRC centre for doctorial training sponsored PhD studentship is available to undertake research in the field of actinide X-ray and electron spectroscopy in a collaborative project between AWE and two research groups at the University of Manchester. Read more

Supervisors: Dr M Baker, Dr R Harrison

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

More Details

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)

More Details

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)

More Details

Development of Novel Miniaturized Device Technologies for Point-of-Need Diagnostics

University of Birmingham School of Biomedical Sciences

A PhD Studentship is available for a suitably qualified candidate to conduct research leading to the award of a PhD degree in the fields of Chemical and Biomedical Engineering. Read more

Supervisor: Prof P Goldberg Oppenheimer

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

More Details

Understanding Fischer-Tropsch catalysts by in-situ spectroscopy

The University of Manchester Department of Chemistry

This PhD project is an exciting opportunity to apply and develop the cutting-edge characterisation techniques available at the University of Manchester, working with bp as industrial partners to help solve one of the biggest challenges in the transition to Net Zero. Read more

Supervisors: Dr Alex Walton, Prof S Haigh

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

More Details

PhD Studentship in the atomistic dynamics of mechanochemical reactivity

University of Birmingham School of Chemistry

Applications are sought for a fully funded 3.5-year PhD position in the group of Dr Adam Michalchuk in the School of Chemistry at the University of Birmingham to start Oct. Read more

Supervisor: Dr A Michalchuk

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

More Details

Ultrafast Laser Spectroscopy of Photochemical Dynamics

University of Bristol Chemistry

Ultrafast Laser Spectroscopy of Photochemical Dynamics. Fully funded 3.5 year PhD studentships are available to start in September 2024 in the Orr-Ewing research group and the Oliver research group in the School of Chemistry at the University of Bristol. Read more

Supervisor: Prof A Orr-Ewing

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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

Single molecule science: new experimental approaches to measuring the charge, size and 3D conformation of single biomolecules in solution

University of Oxford Department of Chemistry

Prof. Madhavi Krishnan's group is looking for bright, highly motivated and committed students for PhD research in the broad area of single molecule biophysics and nanoscience. Read more

Supervisor: Prof M Krishnan

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

More Details

Ultrafast Photochemical and Photobiological Dynamics

University of Bristol Chemistry

Ultrafast Photochemical and Photobiological Dynamics. A fully-funded 3.5 year PhD studentship is available to start in September 2024 in the Oliver research group at the University of Bristol. Read more

Supervisor: Dr T Oliver

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

More Details

How does the dynamic intra-membrane aggregation of phage lysis proteins kill bacterial pathogens?

The University of Manchester Department of Physics and Astronomy

This is an interdisciplinary project. It will provide a unique opportunity to obtain training in a wide range of interdisciplinary skills, including protein engineering techniques, protein purification, atomic force microscopy, neutron reflection and scattering as well as molecular dynamics simulations. Read more

Supervisor: Prof J Lu

28 June 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

More Details

Programming Colloidal Self-Assembly for Advanced Materials

University of Birmingham School of Chemistry

A PhD place is available with Dr Dwaipayan Chakrabarti in the School of Chemistry at the University of Birmingham on a project themed on designing and developing colloidal advanced materials, using high-performance computing, underpinned by theories of statistical mechanics and wave propagation in periodic structures. Read more

Supervisor: Dr D Chakrabarti

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

More Details

Fully Funded PhD Program Opportunity

Okinawa Institute of Science and Technology Graduate University

The Okinawa Institute of Science and Technology Graduate University (OIST), accredited in 2011 as a graduate university, is located in the beautiful subtropical island of Okinawa, Japan. Read more

Funded PhD Programme (Students Worldwide) International PhD Programme

More Details

New methods for modelling radionuclide binding proteins

The University of Manchester Department of Chemistry

The management of radioactively contaminated land and water is a multi-billion pound, 100+ year grand challenge that requires innovation to minimise costs. Read more

Supervisors: Prof S Hay, Dr L Natrajan

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

More Details

We have 34 Physical Chemistry (computational physics) PhD Projects, Programmes & Scholarships

Physical Chemistry (computational physics) PhD Projects, Programmes & Scholarships

We have 34 Physical Chemistry (computational physics) PhD Projects, Programmes & Scholarships

Select your nearest city

Do you want hassle-free information and advice?