Publication: Simulations of ion migration in metal halogenide perovskites

Prof. Roger De Souza has found errors through simulations of ion migration in metal halogenide perovskites and proposed a course correction.

For more information, see the press release and the publication:

Simulations of Ion Migration in Metal Halide Perovskites - error found and course course correction proposed

"Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX ₃ Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide"