Numerical simulation in industry today is to a large extent dominated by continuum Structural mechanics and Computational Fluid Dynamics models. They form part of a Computer Aided Engineering design process that started more than 50 years ago and is now regarded as a mature discipline. It is widely adopted in industry and served by a number of multi-billion Euro software companies.
So is there room for, and a need for, materials modelling at the electronic and atomistic levels for industrial problems?
The answer should be yes, as there is a need from industry and society for materials and molecules with tailored electronic, atomistic and nano-scale functionalities. Even the engineering of these materials often rely on controlled electronic and atomic-scale processes. This is an opportunity for materials modelling, but also a challenge as more capable models and workflows (data-driven or physics-based) are needed that are both feasible and manage to link the fine-graned scales to the complex scenarios of the real world.
Modelling gaps (and benefits) at the eletronic and atomistic levels in industry
by Ludovic Briquet (Johnson Matthey, UK)
Multiscale modelling from micro to macro
by William Curtin (EPFL, CH)
Impulse presentation #3
by Tom Woo (University of Ottawa, CA)
Maria Alfredsson (University of Kent, UK)