Department of Chemical Engineering and Biotechnology

A post-doctoral research associate position is available at the University of Cambridge in the Computational Modelling Group under the supervision of Prof. Markus Kraft. The successful candidate will join a multi-disciplinary team developing intelligent data-driven methods for the digital discovery of reticular materials.

To date, the team has mined the literature to create a database of materials, developed data structures to describe their Lego-like nature, designed algorithms that exploit the data structures to predict the existence of new materials, implemented workflows for calculating the properties of materials, and used large language models to extract synthesis knowledge from the literature and infer the steps required to synthesise new materials.

The vision of the team is to automate materials discovery and synthesis by tightly integrating knowledge engineering, computational modelling, various machine learning techniques (e.g. Chemprop, etc.) and artificial intelligence to design materials with properties tuned for specific applications. The work forms part of The World Avatar (TWA) project, a disruptive approach pioneered by Prof. Kraft to leverage knowledge-based technology to share data and create interoperability across different technical and social domains.

https://www.cam.ac.uk/jobs/research-assistantresearch-associate-fixed-term-nq48777