UKRI sought proposals for communities to establish multi-disciplinary Design and Development Working Groups (DDWG) that would undertake activities to determine and begin to implement what is required to make sure their community “Exascale ready” by the mid-2020s. Aims included: RSE training, and the development of software suitable for immediate use on Exascale computing that will have high impact and that can be applied by a wide range of users in strategically important areas of research. Leads from the Materials & Molecular Modelling (MMM) Hub, the Materials Chemistry Consortium (MCC) and the UK Car-Parrinello Consortium (UKCP) submitted a combined proposal for the Materials and Molecular Modelling Community (to establish the MMM DDWG), which was successful and awarded a £223k share of the funds.
Stage 1: Materials and Molecular Modelling Exascale Design and Development Working Group (EP/V001507/1) began in May 2020 and ran for 15 months.
Stage 2: Particles At eXascale on High Performance Computers (PAX-HPC) (EP/W026775/1) commenced in December 2021 and will run for 3 years.
