PhD Position: Data-enhanced Quantum Chemistry for Predictive Catalyst Design – Kraemer Group, Trinity College Dublin Trinity College Dublin in Ireland

Trinity College Dublin, Ireland’s leading university and ranked 75th globally (QS World University Rankings 2026), invites applications for a PhD research position in the Kraemer group, School of Chemistry. This position is funded by the Trinity Research Doctoral Award (TRDA) and focuses on the in silico design of sustainable catalyst platforms. The project, titled Data-enhanced Quantum Chemistry for Predictive Catalyst Design, aims to develop computational approaches for discovering sustainable catalysts based on low-valent main group elements.

The research addresses a critical challenge in the transition to a climate-neutral economy by enabling the design of environmentally benign alternatives to precious-metal catalysts used in chemical processes. The successful candidate will combine state-of-the-art quantum chemical modelling with machine learning techniques, contributing to the development of predictive frameworks for catalyst discovery. The project will investigate the electronic structure and reactivity of Group 13 compounds, focusing on key catalytic processes such as small-molecule activation and photochemically driven transformations.

Working within an interdisciplinary and collaborative research environment, the candidate will contribute to the development of data-driven methodologies that support sustainable chemical manufacturing and advance fundamental understanding of main group catalysis. The Kraemer group offers a dynamic setting for research at the interface of chemistry, computation, and sustainability.

Trinity College Dublin is committed to equality, diversity, and inclusion, welcoming applications from all individuals, including those with disabilities, non-traditional career paths, or those displaced due to war. The university is an EU Sustainable Gender Equality Champion and holds an Athena Swan Silver award, reflecting its ongoing work to advance gender equality in higher education. Trinity supports work-life balance and fosters a family-friendly working environment.

Funding: This PhD position is fully funded through the Trinity Research Doctoral Award (TRDA), covering stipend and tuition fees.

Eligibility: Applicants should have a strong academic background in chemistry, chemical engineering, or a related field. Experience with quantum chemical modelling and/or machine learning techniques is desirable. International applicants are encouraged to apply.

Application Procedure: Submit a cover letter outlining relevant research experience and motivation, a full curriculum vitae, relevant transcripts, and contact details of two academic referees to Prof. Tobias Kraemer at [email protected]. Alternatively, applications can be submitted via the online portal. Please ensure your application addresses your motivation and relevant experience.

For further information and to apply, visit the application portal: Apply Here.