HW-3-6 AI-driven discovery of MOF materials for Direct Air Capture Applications

About the Project

This PhD is one of a number of projects hosted by the Centre for Doctoral Training in Green Industrial Futures (CDT-GIF). We are offering pioneering research projects that will enable PhD researchers to explore key technologies and solutions that will support UK industry to reach net zero.

Project Description

To achieve net-zero targets by 2050, it is essential to remove significant amounts of carbon dioxide (CO₂) from the atmosphere, in addition to substantial reductions in greenhouse gas emissions. This project focuses on optimizing and reducing the costs of Direct Air Capture (DAC) technologies, a critical pathway to CO₂ removal from the atmosphere, by exploring the application of Metal-Organic Frameworks (MOFs) as advanced materials.

MOFs, renowned for their high surface area, tuneable porosity, and versatile chemical functionalities, hold immense potential for a wide range of applications including CO₂ capture. The student will investigate MOF-based solutions for DAC, with an emphasis on developing data-driven approaches for speeding up the screening of materials and the evaluation of the performance of DAC processes.

The research will also focus on assessing materials performance under real-world conditions and evaluating their cost-effectiveness and scalability for industrial adoption. Additionally, the project will compare the performance of MOFs with benchmark materials and current state-of-the-art technologies to provide a comprehensive evaluation of their advantages and limitations. This comparative analysis will help identify opportunities where MOFs can outperform existing solutions and contribute to the development of innovative and competitive technologies for addressing global energy and environmental challenges.

The project will provide hands-on experience in research methodologies, critical thinking, and problem-solving in this impactful and rapidly growing field.

Supervisors

• John Andresen / cdtgreenindustrialfutures@hw.ac.uk
• Susana Garcia

Application Criteria

As a minimum we require candidates to have a First-class or 2:1 MEng or and MSc with merit (over 60%) in a relevant area i.e. Chemical Engineering, Process Engineering, Chemistry, Materials Science, Geoscience etc. Candidates for socio-politico-economic research topics will also be considered with a relevant MA. Applicants who have a First-class BSc/BEng (Hons) and can demonstrate significant relevant industry/research experience may also be considered.

Candidates should be aware of and meet the entry requirements for the university hosting the PhD studentship.

Having experience developing codes and programmes in Python and/or being familiar with chemical and process engineering software such as Aspen/Hysys is desirable.

Funding Notes

The programme is four years and starts in September 2026. Funding includes full UK fees, tax-free stipend (2025/2026 stipend is £20,780), plus budget for travel and consumables.

Enquiries

cdtgreenindustrialfutures@hw.ac.uk