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...
