Materials discovery

About the project

At Liverpool, we’re redefining the future of materials through cutting-edge AI and digital innovation. Our world-leading expertise in computational modelling and robotics is driving the design of net-zero materials at speed and at scale, and has been recognised by the prestigious Queen’s Anniversary Prize.

Our pioneering research drives real-world transformation, powering breakthroughs in clean energy, revolutionising healthcare, advancing sustainable living, and reshaping consumer products. From lab to legislation, we’re partnering with governments and industries worldwide to accelerate global impact and build a more resilient, low-emission future.

Eligibility

Candidates will be expected to have a PhD in a discipline relating to their fellowship proposal, and at least three years of postdoctoral experience in an academic, research and development (R&D) or policy environment.

Candidates must apply against one of our defined frontier focus areas listed below and clearly articulate their vision in their outline research proposal. Please do not apply for more than one focus area.

N.B. Host departments listed in each frontier focus area are purely indicative to aid the internal handling of applications. Successful candidates will be placed in the most appropriate University department for their discipline.

Frontier focus areas

Fellowship in this research area will develop a research program of embodied AI (robotics) and automation in the chemical and materials sciences, including but not limited to novel approaches to robotic hardware, robot learning, (mobile) manipulation, orchestration and system architectures, perception and sensing, multi-robot systems, digital twins, cognitive robotics, trustworthy human-robot interaction, AI-driven autonomous discovery.

In particular, the research should take into account the specific context of materials research, with issues involving safety, interaction with advanced instrumentation and human scientists. The ability to contribute to current Liverpool research efforts in the areas of materials for sustainability or net zero would be particularly welcome.

Fellowship in this research area will develop a research program of AI and data science applied to the discovery of materials of all classes (organic, inorganic, polymeric and composites) adopting a range of innovative methodologies, which may include, machine learning predictive modelling, generative models of materials, multi-fidelity AI, knowledge-aware optimisation, natural language processing, AI-driven design of synthetic methods, integration of statistical and physics based models.

The ability to translate methodological innovation into hypotheses immediately testable in the laboratory will be essential to maximize the synergy with existing activities.

In particular, the research should relate to energy materials (energy storage, generation, transduction) or sustainable processes (catalysis, recycling).

Fellowship in this research area will develop a research programme of AI-driven digital design for manufacturing of complex engineering materials for extreme environments. This may include materials design and manufacture using digital tools, including computational modelling, AI/ML-driven design, topology optimisation, digital twins, and how these tools feed directly into advanced manufacturing processes, such as additive manufacturing and hybrid techniques for advanced materials like ceramic matrix composites, metamaterials, ultra-high-temperature alloys, or functionally graded materials.

Applications related to aerospace, nuclear fission and fusion, deep-sea, hypersonic vehicles, or space habitats would be particularly welcome and an interest in scalability, adaptability, sustainability, and resilience would be advantageous.

• Host school: Computer Science and Informatics
• Host department: Artificial Intelligence subject group
• Host school: Physical Sciences
• Host department: Chemistry .
• Host school: Engineering
• Host department: Materials, Design and Manufacturing Engineering

University of Liverpool Fellowships

• UniversityofLiverpoolFellowships@liverpool.ac.uk

Research areas