computational materials science PhD Projects, Programmes & Scholarships

We have 145 computational materials science PhD Projects, Programmes & Scholarships

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)

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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)

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Acoustical Properties of Meta-Materials

University of Bradford Faculty of Engineering & Digital Technologies

Research Group: Centre For Sustainable Environments

Porous materials such as foams and felts are often used to reduce noise levels. However, these materials are often ineffective at low frequencies. Read more

Supervisor: Dr A Khan

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

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Computational Framework for Sustainable Materials, Manufacturing, Energy, and AI Driven Simulations

Aberdeen University School of Engineering

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

Supervisor: Dr Amir Siddiq

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

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Physics-based Multi-scale Modelling of Multi-Material Additive Manufacturing

Queen Mary University of London School of Engineering and Materials Science

Project Details. Additive manufacturing (AM) is emerging as a promising alternative for designing multi-material parts for complex geometries in engineering applications; especially in the biomedical sector. Read more

Supervisor: Dr C Panwisawas

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

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PhD in Quantum Simulations for Electronic Structure Calculations in Molecules and Materials

University College London Faculty of Mathematical and Physical Sciences

Do you have a passion for computational chemistry and are eager to employ quantum computing methods to study complex chemical systems?. Read more

Supervisors: Prof P Coveney, Prof A Hoekstra

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

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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)

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Research Assistent in Digital Materials Science (m/f/d) (TV‐L EG13, 100%, Clausthal‐Zellerfeld, Germany)

Clausthal University of Technology Institute for Materials Science and Engineering

The Institute for Materials Science and Engineering at Clausthal University of Technology is pleased to announce a postdoctoral position available … Read more

Supervisor: Prof U Wolfram

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

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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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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)

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Computational design of novel battery materials with cutting-edge techniques

King’s College London School of Natural & Mathematical Sciences

Applications are invited to apply for a PhD studentship in the Theory and Simulation of Condensed Matter (TSCM) Group at King’s College London, in the computational design of next-generation battery materials, working in partnership with experimental colleagues in the cross-disciplinary ‘Net Zero Centre’. Read more

Supervisors: Dr JT Tomczak, Dr G Booth, Dr LL Lander

1 May 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Accelerating computational materials discovery with diverse toolsets for verification and optimisation

University of Liverpool School of Electrical Engineering, Electronics and Computer Science

The discovery of new functional materials to drive technologies for the net zero transition, such as batteries, solar absorbers, rare-earth-free magnets for wind power and a myriad of other unmet needs, is a scientific and societal grand challenge. Read more

Supervisors: Dr A Listsa, Prof RIJ Ibsen-Jensen

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

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Machine learning analysis of large-scale crystal structure prediction

University of Southampton Chemistry

Supervisory Team: Prof. Graeme Day. Project description. A fully funded 3.5-year PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant funded by the European Research Council. Read more

Supervisor: Prof G Day

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

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PhD position in Materials Informatics

Villanova University Mechanical Engineering

The Multiscale Modeling of Materials and Machine Learning Laboratory (M4L Lab. https://www.m4l-lab.com/) at Villanova University is looking for one Ph.D. Read more

Supervisor: Prof D Cereceda

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

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