sectors such as civil and mechanical engineering, the design process is done
almost entirely by computer.
ability to design virtually allows for the acceleration of R&D processes
and the smoother development of new products. So it’s probably not a surprise
that it is a long-held goal in chemical and materials product design to shift
the process from being often labour-intensive and expensive, to a more robust
and adaptive computer-aided paradigm.
chemistry and materials programme, made up of researchers from STFC and IBM, is
focused on developing an integrated data analytics, modelling, and simulation
capability that is able to address a broad variety of chemical and materials
problems with world-class scale and accuracy. It includes multiple research
activities that can be separated into two main threads, one focused on
simulation and the other on data and cognitive computing.
programme has a number of broad work areas:
Automated model parameterisation
HPC in the cloud
Big data for chemistry
will be using our blog to provide progress on our research activities. You can
find out more about our plans and how to get involved in Dr Rick Anderson’s
recent blog post.