Research Associate in Homogeneous Catalysis at Heriot-Watt University

The Institute of Chemical Sciences is seeking an ambitious and highly motivated Post‑Doctoral Research Associate to join the research group of Dr Liam Donnelly. This project aims to transform how homogeneous catalysts are discovered and optimised by combining state‑of‑the‑art computational featurisation with experimental reaction‑kinetics data to build a machine‑learning platform capable of predicting catalyst performance. 

This is an exciting, highly collaborative project involving Heriot‑Watt University, the Cambridge Crystallographic Data Centre (CCDC), the Physical Sciences Data Infrastructure (PSDI), and the University of Oxford, funded through the UK Catalysis Hub. The successful candidate will lead the experimental and synthetic chemistry efforts over the 12‑month project (with potential for extension). Key responsibilities include preparing and evaluating diverse (pre)catalysts, generating high‑quality kinetic datasets using in situ reaction‑monitoring techniques, and experimentally validating machine‑learning‑guided catalyst predictions. 

The role offers an exceptional interdisciplinary training environment and will involve close interaction with partners across all institutions. A research secondment to the University of Oxford will provide hands‑on experience in specialist catalyst synthesis and broaden the candidate’s collaborative network. 

To explore the post further or for any queries you may have, please contact: Dr Liam Donnelly, Lecturer in Green and Sustainable Chemistry.

Key Duties & Responsibilities

  • Conduct experimental and synthetic chemistry to develop and evaluate new homogeneous catalyst systems. 
  • Generate high‑quality reaction‑kinetics data using advanced analytical techniques (e.g., operando NMR) to support data‑driven catalyst optimisation. 
  • Prepare, purify, and characterise catalyst candidates, including time spent in a partner laboratory to undertake specialist synthesis work. 
  • Collaborate closely with computational researchers to support catalyst featurisation and contribute experimental data for machine‑learning‑guided prediction tools. 
  • Apply optimised catalysts to molecular and polymer‑transformations and assist in analysing resulting materials. 
  • Work with project partners to support the extraction, curation, and structuring of computational and experimental data for integration into shared digital research infrastructures. 
  • Maintain accurate laboratory records and ensure high standards of research data management and reproducibility. 
  • Engage actively with project partners across institutions and participate in regular meetings to report progress. 
  • Contribute to research outputs, including publications, presentations, and dissemination at national and international conferences. 
  • Contribute to bids for research grants. 
  • Assist in the supervision of undergraduate/postgraduate research students and research assistants as required. 
  • Contribute to the smooth running of the Group’s laboratories and facilities with other scientists, technicians, and students within the laboratories. 
  • Comply with EPS and ICS safety practices and to attend courses on safety when appropriate. 
  • Promote the reputation of the Donnelly Group, ICS, and Heriot-Watt University. 
  • Any other duties as may be deemed reasonable by the Group Leader as well as the Global Head of the Institute of Chemical Sciences. 

Essential & Desirable Criteria

Essential

  1. A PhD (or about to obtain) in chemistry, chemical engineering (strong chemistry focus), or equivalent research, industrial, or commercial experience. 
  2. Knowledge and experience of synthesis and catalysis, including the ability to work effectively with air- and moisture-sensitive compounds and undertake a range of catalytic reactions.  
  3. Knowledge and experience of a range of spectroscopic and analytical methods of relevance to the project area. 
  4. A developing track record of publishing research results in peer-reviewed journals and an ability to lead the writing up of results for publication in a timely manner. 
  5. Evidence of self-motivation and the ability to work independently. 
  6. Willingness and ability to work proactively with collaborators in other institutions is important. 
  7. Have a strong ability to plan and manage their own time to consistently meet deadlines, whilst maintaining excellent research quality. 

Desirable

  1. Experience of pursuing external funding to support research. 
  2. Experience in computational chemistry, machine learning and/or algorithm development for chemical synthesis. 
  3. Experience working with industrial/academic partners. 

 

Application deadline: Thursday 26 March 2026

For more information and to apply visit https://enzj.fa.em3.oraclecloud.com/hcmUI/CandidateExperience/en/sites/CX/job/4693/?utm_medium=jobshare&utm_source=External+Job+Share