Powering the future with advanced batteries is no small feat. The key challenges lie in enhancing energy density to pack more power, enabling rapid charging to reduce downtime, and minimizing degradation to ensure long-lasting performance and reliability. Understanding the operation of a battery cell at the materials level is essential for creating new battery solutions. Battery manufacturers rely heavily on experimental techniques to determine battery material properties, which are time-consuming, resource-intensive, and often involve trial and error.
This webinar will explain how Simcenter Culgi employs virtual testing techniques to design the complete chemistry of a battery cell. Through industrial use cases on battery material formulations, our experts will demonstrate how to integrate materials information from detailed scale models, such as molecular-scale modeling, to the cell level or higher, including cell electrodes and electrolytes.
They will demonstrate how automated parameterization helps design innovative solutions, adapt to changes, and explore chemical space. They will also show how coarse-grained simulations and automatic molecule charge parameterization improve modeling accuracy.
Key topics and takeaways:
This battery material modeling webinar targets computational chemists, R&D material scientists, and chemical data engineers/scientists looking for a way to obtain parameters for battery models or to understand observed behaviors by leveraging on a molecular, detailed level of representation.
Product Manager, Simcenter Fluids and Thermal
Jan-Willem holds a master's in theoretical chemistry, a PhD in computational chemistry from the University of Amsterdam, and an MBA from Amsterdam Business School. He was Chief Application Scientist at Culgi B.V. until 2021 and now serves as senior technical product manager for Simcenter Culgi at Siemens Digital Industries Software. With over 20 years of industry experience, he has co-authored over 50 academic publications.
Molecular Modeling Application Expert, Simcenter Fluids and Thermal
Giulia Biffi completed her master's in Photochemistry at the University of Bologna and her PhD cum laude in “Sciences and Technologies of Chemistry and of Materials - Curriculum Nanochemistry” at the University of Genova and the Italian Institute of Technology. She then performed her Postdoc in Theoretical and Computational Chemistry at the Materials Physics Centre of San Sebastian in Spain. Giulia’s expertise focuses on the use of theoretical and computational methods and on analytical models’ development to address issues concerning light-matter interaction. She joined Simcenter Culgi in 2022 where she currently covers the role of Molecular Modeling Application Specialist.