Presentation Information
[C-252P]Comparing electric- and color-field-driven ab initio NEMD for ion transport in a solid electrolyte
○Erwin Rait1, Dan Ito1, Ryoma Sasaki1, Michiel Sprik1,2, Yoshitaka Tateyama1 (1. Institute of Science Tokyo, 2. University of Cambridge)
Keywords:
Non-equilibrium MD,Maxwell electric field,Ab initio MD,Li-ion conductivity,Polarization