Recent content by rentj

  1. rentj

    Graduate How to practically perform first-principles calculations on Li-ion batteries?

    Hi! I am an independent researcher interested in Li-ion battery electrodes, particularly in their first-principles calculations. I understand the basic theory of DFT and crystals, but I am extremely new to the field. I am following the methods outlined in this paper: 10.1103/PhysRevB.82.125416...