Session 3

From Modelling to Experimental Characterisation for Energy Materials


The session aims to correlate computer modelling and experimental characterisation, in application to the increasingly important area of energy materials. Two thematic sub-areas are first addressed:  solar cells and batteries, and applications of both physics-based and data-based modelling approaches are considered. Discussion will be directed so as to identify key research problems relevant to the modelling of solar cells, taking into account characterisation data for organic semiconductor materials. Further, industrial problems relevant to the modelling of Li-ion batteries will be discussed, as exemplified by the modelling-based detection of material defects in graphene anodes or separators.

Following the  impulse talks, broader discussions and collaborations within the EMMC are envisaged to follow. Expertise in multi-scale multi-physics modelling of energy materials is specifically solicited as well as joint efforts for the development of Open Platform tools and examples, for teaching and public communications on the subject.


The main objective of this session is to encourage new efforts of the EMMC community towards the modelling  of energy materials. Specific collaborations are sought in:

  • multi-scale multi-physics modelling of energy materials,
  • data-based modelling of energy storage materials and devices,
  • Open Platform modelling tools and examples for energy materials, for education purposes.
Day 1 - Tuesday, Mar 02, 2021
14:15 - 15:45
Room 1

Development of Electromagnetic Models of Graphene Anode Interactions with Material Test-fixtures
by Marzena Olszewska-Placha (QWED, PL)

Development of Li-ion Battery Models from Electro-impedance Spectroscopy Data
by Ferry Kienberger (Keysight Research Labs, AT)

Application of Modelling Tools for the Electrical Characterisation of Organic Semiconductors
by Olivier Douheret (MateriaNova, BE)

Joint application of EM FEM and Data-based Modelling for Detection of Small Defect Structures in Batteries
by Georg Gramse (Johannes Kepler University, AT)


Małgorzata Celuch (QWED, PL)

European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312