Materials Modeling and Simulations Webinar - 29-03-2017

8am EST/11am EST/5pm CET

Topic: Characterization and Optimization of Novel Electrode Materials using MAPS Platform

This is part of Scienomics' monthly web seminar series which covers all aspects of Materials Science modeling and simulations with MAPS software platform including strategic application of M&S tools to solve business critical scientific challenges. If you are interested in previously recorded webinars, please email



Over the past 10 years, energy storage has become a major research field due to the need for replacement of fossil energies. Energy materials such as batteries, solid oxide fuel cells or capacitors are now used in many industrial sectors such as electric vehicle, smartphone, computers or any other portable device. These materials are required to have good stability and storage capacity as well as fast charge and discharge properties.


During this one hour webinar, we will demonstrate how to model properties (such as cell voltage, lithium diffusion, electrode stability) of these materials following the typical workflow of BUILD > SIMULATE > ANALYZE within Scienomics' MAPS multiscale platform. We will also present how in-silico experiments (such as materials doping or defect creation) can be designed within MAPS to optimize such properties. Examples presented will include:

  • Study of the structure and properties of LiCoO2 electrode
  • Influence of doping agent on oxygen stability in Li2MnO3 cathode
  • Lithium adsorption and diffusion in graphene electrode
  • Oxygen diffusion in solid oxide fuel cell

We will be pleased to have you with us!