Hi everyone.

I am interested in calculating the open circuit voltage from the insertion of lithium ions into electrode structures of stable models of candidate anode materials (E.g. C, Si, Ge) or into complex cathode materials. I equally want to know how to generate multicomponent cathode materials using structures generated by cluster expansion method.

Please, I need guide (tutorial) and article that will help me better understand and achieve the above goals in material studio.

Thank you very much.