Improved Battery Materials Using Molecular Modelling
Presentation of the problem and objective of the experiment
New battery technology plays an important role in the transition to more sustainable societies. The European battery industry is growing rapidly, mainly driven by the increasing need for electric vehicles. To serve this increase, battery developers need to innovate and manufacture more and better batteries. This experiment intends to demonstrate the capabilities of molecular modelling in the development of better battery materials.
Short description of the experiment
By leveraging high-performance computing (HPC) resources with state-of-the-art simulation and analysis software, the consortium will screen multiple battery electrolyte compositions in order to optimise the material properties for superior battery development & manufacturing. This experiment will demonstrate the capabilities and prove technical and commercial benefits of molecular dynamics solutions in addition to experimental testing. Thus leading to future business opportunities and better material development processes in the industry as a whole. The results in themselves are also expected to enable the creation of high-performing and sustainable battery materials suiting the needs of customers.
Organisations involved:
ISV: Compular
Technology expert: Chalmers Industriteknik
End-user: Enerpoly
Domain expert: ENCCS
Partner ENCSS is part of the NCC Sweden.