Research Associate in Numerical Modelling for AI-Driven Sorbent-Based Carbon Capture Technologies

Role: Research Associate in Numerical Modelling for AI-driven Sorbent-Based Carbon Capture Technologies

Grade and Salary: Grade 7, £37,694 - £47,389 per annum

FTE and working pattern: 1FTE, 35hrs per week, Monday – Friday

Contract: 12 Months FTC (Potential opportunity for extension).

Holiday Entitlement: 33 days annual leave plus 9 buildings closed days (and Christmas Eve when it falls on a weekday

Purpose of Role.  

We are looking for a creative and highly motivated researcher willing to work as part of our international and multidisciplinary team and with expertise to support our research activities in the engineering of optimal porous materials for CO₂ capture applications via a data-driven and system-based approach (AI4Capture). This position is an exciting opportunity to contribute to our efforts on designing novel materials that are tailored for the most economical carbon capture process. The project will involve the design of adsorption-based processes that can be used for screening of materials and their integration into our techno-economic PrISMa platform (Charalambous, C., Moubarak, E., Schilling, J. et al. A holistic platform for accelerating sorbent-based carbon capture. Nature 632, 89–94 (2024), with the ultimate aim of identifying top performing materials for specific carbon capture applications.  

The primary objectives of the research are: 1) to develop process models and cycle designs that can be integrated into our screening techno-economic platform; 2) to identify the optimal targets for materials development for selected combinations of CO2 sources and sinks obtained after the process system analysis; and 3) to help developing data-driven approaches for speeding up the screening of materials and the evaluation of the performance of carbon capture processes. 

The successful applicant must hold a PhD (or about to obtain) in chemical engineering, mechanical engineering, physics or related discipline (e.g.  mathematics or other engineering) with background and demonstrable expertise in numerical modelling. The post is available from 1st March 2026 for 12 months in the first instance and could be extended further. 

See http://rccs.hw.ac.uk/ for more details. 

Key duties and responsibilities  

The post holder is required to: 

• Conduct collaborative interdisciplinary research on numerical modelling of sorbent-based capture plants and developing other as-required modelling work to support the activities of the team

• Have strong experience in numerical modelling, preferable with Python

• Have a strong collaboration with the team and AI4Capture project partners to integrate process models with materials science, techno-economic analysis and life-cycle analysis

• Work collaboratively with the team to achieve the project goals. This includes coordination of interdisciplinary teams, supervision of students/junior researchers and maintenance/support of the facilities/equipment

• Prepare technical reports, posters and presentations for progress meetings, advisory board meetings and other as required dissemination activities

• Project coordination with other partners, work both independently and as part of a team to achieve overall programme milestones to time, liaising with team members, collaborating project partners and sponsors

• Take responsibility for progressing a primary research project, whilst also contributing to other projects underway within the team, e.g., supervising the activities of junior group members and PhD students

• Contribute scientifically through scholarly acquisition and dissemination of research through the production of reports, publications, presentations and travel to meetings to outreach to the scientific community and general public

• Analyse and interpret the results of own research and generate original ideas based on outcomes. Prepare proposals and applications to external bodies, e.g., for funding purposes. Use initiative and creativity to identify areas for research, develop new research methods and extend the research portfolio. 

• Assist the development of student research skills, and be expected to contribute to the assessment of student knowledge in the context of teaching and supervision duties

• Develop research objectives and proposals for own or joint research with the assistance of a mentor, if required. Conduct individual and collaborative research projects, making use of relevant research techniques and methods

• Contribute, under supervision, to the planning of research projects, including the development of new grant/contract proposals. Make internal and external contacts to develop knowledge and understanding and form relationships for future collaboration

• Good communication skills and an appropriate publication record are essential

• Continue to update personal knowledge and to develop skills within own specialist research area

• The successful candidate is also expected to be involved in our outreach activities, with roles that can be tuned to the specific preferences of the candidate but will involve for example interviews, talks for the general public and preparation of experimental demonstrators

Education, Qualifications and Experience 

Essential Criteria 

• PhD (or about to obtain) in chemical engineering, mechanical engineering, physics or related discipline (e.g.  mathematics or other engineering) with background and demonstrable expertise in numerical modelling

• Experience of applying numerical methods to solve sets of differential equations in a coding language such as: Python, MATLAB etc

• Experience of using experimental data to tune and fit model parameters

• Experience on process validation

• Experience with knowledge sharing and training members of the team

• Experience with publication of academic journal papers and reports

• Strong organizational skills and project management

• Working in an interdisciplinary field, where gaining knowledge of new areas and techniques is a constant requirement

• Excellent communication and presentation skills, and ability to communicate complex information clearly

• Must be able to work as part of a team on the work at Heriot-Watt University and more widely with the collaborators in AI4Capture

Desirable Criteria 

• Strong knowledge of Python. Experience of object-oriented programming and developing Python modules

• Strong experience in integration of process data, thermophysical data and modelling approaches

• Knowledge/interest on data-driven approaches, i.e. machine learning

• Experience and knowledge in sorbent-based CO₂ capture

• Experience of interaction with industry

• Experience supervising students

• Skills in writing bids for research grants

How To Apply 

Informal enquiries may be made to Prof Susana Garcia.

Applications can be submitted up to midnight (UK time) on Sunday 22nd February 2026.

Please submit your CV & covering letter via the Heriot-Watt on-line recruitment.

We welcome and will consider flexible working patterns e.g., part-time working and job share options.

Heriot-Watt University is committed to securing equality of opportunity in employment and to the creation of an environment in which individuals are selected, trained, promoted, appraised, and otherwise treated on the sole basis of their relevant merits and abilities.  Equality and diversity are all about maximising potential and creating a culture of inclusion for all.

Heriot-Watt University values diversity across our university community and welcomes applications from all sectors of society, particularly from underrepresented groups. For more information, please see our website https://www.hw.ac.uk/uk/services/equality-diversity.htm and also our award-winning work in Disability Inclusive Science Careers https://disc.hw.ac.uk/ .

Use our total rewards calculator: https://www.hw.ac.uk/about/work/total-rewards-calculator.htm to see the value of benefits provided by Heriot-Watt University.