We are delighted to announce that Dr Reinhard J Maurer (Department of Chemistry and HetSys) has been awarded funding of €1,494,483 from the European Research Council for his the project ‘Deep learning enabled simulation of plasmonic photocatalysis’ (DeepSpark). The project will focus on studying an emerging type of chemical catalysis called plasmonic photocatalysis that is promoted by light. New simulation methodology will be created by training deep machine learning algorithms to understand and predict the quantum interaction of light, molecules, and metal catalysts and contribute to the development of new processes and materials for sustainable and carbon-neutral fuel and fertilizer production.

We are pleased to announce that the programme of talks as part of the student-led Computational Toolkit seminar series is now available.

The aim of this series is to create a "computational toolkit" of resources and tutorials, aimed at helping those just beginning in the field, and offering a more practical introduction to computational science as a whole. It will cover a range of topics relevant to someone who’s just taking an interest in computational science as a whole, or a programming tool, but will also include talks on more complex tools.

Convened by Idil Ismail (3rd year Hetsys PhD Student) and featuring talks from HetSys students as well as guests from other centres and organisations, the talks will take place each Tuesday at 16:00 GMT starting on the 1st February 2022.

HetSys is pleased to be supporting "Exploiting Machine Learning in Multiscale Modelling of Materials" in the week commencing 13th December.

The event is a UKIERI-DST (UK-India Education and Research Initiative-Department of Science and Technology) Partnership Development Workshop which aims to to help researchers from India and the UK to come together and provide an overview of developments and trends on mutual themes of interest, share their research findings and explore joint collaborations and partnerships. In addition, the workshops aim to support international development-relevant research.

Exploiting Machine Learning in Multiscale Modelling of Materials (EMLM³) has been organised by HetSys co-Director James Kermode and Gautam Anand from the Indian Institute of Engineering Science and Technology and will bring together physical scientists, materials scientists, engineers and mathematicians from the UK and from India for discussion on the development of machine learning algorithms along with envisaging the possible applications for challenging problems in materials science and engineering. This workshop will also involve students and researchers associated with HetSys, which we anticipate will also help to initiate collaborative research grants in the area of machine learning and multiscale modelling of materials.