Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[2PC-181] Density Functional Tight Binding Parametrization and Its Application on Carrier Ion Dynamics in Electrolyte Solutions for Li-ion Batteries

03.Poster

○NISHIDA, Hideyuki; NISHIMURA, Yoshifumi; CHOU, Chien-pin; OKOSHI, Masaki; SAKTI, Aditya Wibawa; NAKAI, Hiromi (Sch. Advanced Sci. Eng., Waseda Univ.)

Keywords:Lithium ion batteries、electrolyte solutions、density functional tight binding method、quantum mechanical molecular dynamics