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We have 145 computational chemistry PhD Projects, Programmes & Scholarships

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computational chemistry PhD Projects, Programmes & Scholarships

We have 145 computational chemistry PhD Projects, Programmes & Scholarships

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Upcoming Doctoral (PhD) Positions at International Max Planck Research School - Biological Intelligence

International Max Planck Research School – Biological Intelligence
PhD program
The International Max Planck Research School – Biological Intelligence (IMPRS-BI) offers fully funded doctoral student positions in the fields of behavior, ecology, neuroscience, connectomics and evolutionary genetics. Read more
 Funded PhD Programme (Students Worldwide)  Germany PhD Programme  Max Planck Research Programme
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Design and Optimization of Concentrated Photovoltaic-Thermal Systems for Solar Hydrogen Production

Monash University Malaysia
Engineering and Information Technology
Green hydrogen production through solar-powered water electrolysis represents a critical pathway toward achieving global decarbonisation targets. Read more
 Supervisor: Prof C Chong
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Doctor of Philosophy (PhD) in Machine Learning for In Situ Characterisation of Phase Transformation in Green Metals

Monash University
Department of Materials Science and Engineering
Doctor of Philosophy (PhD) in Machine Learning for In Situ Characterisation of Phase Transformation in Green Metals. Host. Department of Materials Science and Engineering, Monash University. Read more
 Supervisors: Dr YX Wu, Prof MP Preuss
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Next-Generation Continuous Crystallisation: Holistic Characterisation of Taylor–Couette Crystallisers for Digital Twins in Multiphase Pharmaceutical Manufacturing

University College London
Department of Chemical Engineering
The Department of Chemical Engineering at University College London (UCL) invites applications for a fully funded PhD studentship at University College London under the Engineering and Physical Sciences Research Council (EPSRC) Industrial Doctoral Landscape Award (IDLA) scheme. Read more
 Supervisor: Dr MB Besenhard
 8 June 2026  PhD Research Project  Funded PhD Project (Students Worldwide)
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Developing a regime map for the roller compaction process

University of Sheffield
School of Chemical, Materials and Biological Engineering
Roller compaction is a process used by many industries such as pharma, food and fertilizers. Roller compaction is a continuous dry granulation process where the powder particles compressed by two rotating rollers to produce a ribbon like shape compact. Read more
 Supervisor: Prof AD Salman
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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AI-Enabled Integrity Monitoring for Affinity Biosensors: Ensuring Trustworthy Measurements for Clinical and Industrial Deployment

University of York
School of Physics, Engineering and Technology
  Research Group: Healthcare Engineering
Affinity biosensors have demonstrated great promise for real-time diagnostics, bioprocess monitoring, environmental sensing, food safety, and point-of-care healthcare. Read more
 Supervisor: Dr M Nasr Esfahani
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Data-Driven Numerical Modelling of Materials for High-Temperature Nuclear and Energy Applications

University of Sheffield
School of Mechanical, Aerospace and Civil Engineering
Next-generation nuclear and fusion energy systems place unprecedented demands on structural and functional materials, which must operate reliably under extreme thermal, mechanical, and environmental conditions. Read more
 Supervisor: Dr G Torelli
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Using Machine Learning to enhance Perovskite Solar Cell performance

University of Southampton
Faculty of Social Sciences
This PhD project develops physics-based and machine-learning-enhanced models to optimise perovskite and perovskite–silicon tandem solar cells. Read more
 Supervisor: Dr G Richardson
 1 July 2026  PhD Research Project  Competition Funded PhD Project (European/UK Students Only)
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MSc by Research: Identifying and studying interacting proteins that are “glue-able” to small molecules

University of Dundee
Faculty of Life Sciences
Recent advances from the Ciulli Lab and others have contributed to the establishment of a transformative new modality of chemical intervention into biological system – one that moves beyond the state-of-the-art. Read more
 Supervisor: Prof A Ciulli
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Modelling of liquid-fueled rotating detonation engines for gas-turbine applications

University of Southampton
Faculty of Engineering and Physical Sciences
Supervisory Team. Professor Ralf Deiterding. Using a rotating detonation engine (RDE) as gas turbine combustion chamber could increase engine efficiency dramatically. Read more
 Supervisor: Dr R Deiterding
 30 June 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Microfluidic Encapsulation of biologics into Nanomedicines

Queen’s University Belfast
School of Pharmacy
Progress in drug design has led to the development of new peptides, proteins, and drug molecules. However, the limited ability to deliver selectively these molecules at well-defined dosing regimens and without invoking drug-resistance remains a significant challenge. Read more
 Supervisor: Prof D Lamprou
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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EPSRC Centre for Doctoral Training in Aerosol Science

University of Bristol
EPSRC Centre for Doctoral Training in Aerosol Science
Fully-funded 4-year PhD studentships are available as part of the EPSRC Centre for Doctoral training in Aerosol Science. Read more
 Funded PhD Programme (European/UK Students Only)  EPSRC Centre for Doctoral Training
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Attosecond Photoelectron Imaging with Quantum Light

University College London
Department of Physics and Astronomy
Professor Carla Faria invites applications for a fully funded 3.5-year PhD position at the Department of Physics and Astronomy, University College London. Read more
 Supervisors: Dr C Faria, Prof A.S. Serafini, Prof SB Bose
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Up to 13 fully funded 4-year PhD studentships in the EPSRC Centre for Doctoral Training in Accelerated Medicine Design & Development

University College London
Our Centre for Doctoral Training (CDT) educates students in applying advanced experimental and computational methods to optimise and predict medicines design, development, translation and performance. Read more
 Funded PhD Programme (Students Worldwide)  EPSRC Centre for Doctoral Training
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Up to 13 fully funded 4-year PhD studentships in the EPSRC Centre for Doctoral Training in Accelerated Medicine Design & Development

University of Nottingham
Our Centre for Doctoral Training (CDT) educates students in applying advanced experimental and computational methods to optimise and predict medicines design, development, translation and performance. Read more
 Funded PhD Programme (Students Worldwide)  EPSRC Centre for Doctoral Training
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