Advanced Material Design to Increase Battery Performance

Lithium-ion batteries have fundamentally transformed energy storage, from personal electronics to the ongoing electrification of transportation. Demands for improved safety, battery lifetime and energy density require new battery material choices to be explored: new electrolyte formulations, and novel cathode and anode materials. Research is also exploring paradigm-shifting alternatives to battery materials design such as solid electrolytes and even the replacement of lithium with other, more abundant metals such as sodium, calcium and magnesium.

Energy Storage Battery > Dassault Systemes

Accelerate the Design of Sustainable Energy Source

BIOVIA Materials Studio can be applied to study the most fundamental issues of materials design and connect seamlessly with battery cell and pack simulations - providing the link between materials choices and the battery performance. 

BIOVIA Materials Studio supports the characterization and development of existing and novel battery and fuel cell materials. Coupled with the broader portfolio from Dassault Systèmes, materials scientists can accelerate the design of sustainable, safe and reliable energy source and storage.


  • Predict the transport of lithium ions in the anode and how the lithium ions arrange within the anode during charging and discharging
  • Determine the processes which lead to graphene exfoliation and overall anode degradation
  • Explore the factors which control the growth and stabilization of the solid electrolyte interface
  • Determine the atomic-scale mechanisms for degradation in battery performance such as the formation of metal dendrites
BIOVIA Materials Studio Battery Anode > Dassault Systemes

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