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Supercomputer modelling of advanced materials

6 June @ 9:00 am 7 June @ 5:00 pm

Water droplet on graphene simulated by first-principle quality machine learning potentials. Image credit: Christoph Schran.

Scientific discussion meeting organised by Professor Scott Woodley, Professor Sir Richard Catlow FRS, Professor Nora H de Leeuw and Professor Angelos Michaelides.

The development of advanced materials is of central importance in key scientific and industrial areas, including energy, catalysis and quantum technologies. High end computing and data science offer unprecedented opportunities for predictive modelling of complex materials. The meeting will explore the scientific and methodological challenges in the field, focusing on structure prediction, nucleation and crystal growth, biomaterials and catalysis.

The schedule of talks and speaker biographies will be available soon. Speaker abstracts will be available closer to the meeting date. Meeting papers will be published in a future issue of Philosophical Transactions of the Royal Society A.

Poster session

This event will feature a poster session on 6 June 2022. The posters will be selected by the organisers of the meeting. If you are interested in submitting a poster for consideration please send a title, list of authors and a 200-word abstract, in the third person with no references nor pictures, to scientific.meetings@royalsociety.org with subject line ‘Supercomputer modelling of advanced materials – poster abstract’ by 13 May 2022. Please note the poster presenters should register to attend the meeting before they send us a poster abstract.

Attending this event

This meeting is intended for researchers in relevant fields.

  • Free to attend
  • Both in-person and online attendance available
  • Limited places, advance registration essential

Enquiries: contact the Scientific Programmes team.


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