Molecules and materials
Molecules and materials is an Interest Group of Shef.AI, the multidisciplinary community for AI researchers at TUoS, which is supported by the Centre for Machine Intelligence.
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Introduction
We are interested in using AI in the design, discovery, use, and characterisation of novel molecules and materials. This interest is not restricted to purely computational / theoretical simulations and calculations, but also the incorporation of AI into experiments.
Research areas
- Discovery of novel molecules and materials
- Self-driving laboratories
- Chemoinformatics and materials informatics
- Formulation optimisation
- Automation of synthesis and characterisation
- Incorporating AI into computational chemistry / materials science
Aims of the interest group
- To act as a hub for those interested in using AI for research within chemistry, materials science, chemical engineering and aligned disciplines.
- Share best practice for use of AI in molecular and materials research.
- Develop collaborations, both within the University and with external partners, aligned to this research area.
Contacts
Lead: Grant Hill <grant.hill@sheffield.ac.uk>
Co-Lead: Iain Todd <iain.todd@sheffield.ac.uk>
Join this interest group
Sign up to this interest group using our online form.