The primary objective of SALAMANDER work package 2 is the development of modelling tools to target critical factors influencing the performance of self-healing functionalities and guide the chemical development of polymers and electrodes. This goal is pursued through three main sub-objectives: (O2.1) developing modelling tools to accurately describe self-healing interactions, (O2.2) modelling ionic-electronic transport and electrolyte compatibility, and (O2.3) modelling overall battery cell performance with experimental validation. In the first year of Work Package 2 (WP2), tasks 2.1 and 2.2, led by UU in collaboration with UiO, UPV/EHU, and POLYKEY, have focused on modelling self-healing interactions in advanced polymers and their interactions with active materials. SALAMANDER WP2 aims to parameterize a reference polyelectrolyte and calibrate the metrics against experimental results. This reference polyelectrolyte has been thoroughly studied by collaborators within the project, allowing us to fine-tune the simulation parameters until they align with experimental data. To explore additional polyelectrolyte candidates, we have developed an automated workflow that tests various combinations of monomers and polymerization sequences. We use ionic conductivity and mechanical properties as descriptors to assess the strengths and weaknesses of the new polymers.