Jyväskylä preliminary results The Pihko group at Jyväskylä University (JYU) focuses on the chemical synthesis of new materials that could be utilized to store energy in flow batteries. We start from natural products, such as vitamins, that possess the requisite...
Electrochemical redox reactions kinetics modeling at the electrode-electrolyte interface We use quantum mechanical constraint density functional theory (CDFT) in combination with ab initio molecular dynamics (AIMD) to model the kinetics of electrochemical redox...
TTK preliminary results The TTK team is currently expanding the molecular library of redox active compounds beyond the pyridoxal database. The main aim is to build a structurally diverse set of molecules using the developed computational protocol, and apply machine...
On the 3rd of March 2022, our latest half-yearly project meeting took place, it consisted of a Management Board meeting, Steering Board meeting, where strategic decisions were discussed, and Work Packages meeting. At the WPs meeting, each participant shared with the...
The remote clustering event on batteries, organized by the EC will take place on 17-18 November 2021. 34 projects have been selected to present during the event, and CompBat is one of them! The main objective of the meeting is to bring together projects developing...
