Evaluation of the AMOEBA force field for simulating metal halide perovskites in the solid state and in solution

P. V. G. M. Rathnayake, Stefano Bernardi, Asaph Widmer-Cooper

In this work, we compare existing non-polarizable force fields developed to study the solid or solution phases of hybrid organic-inorganic halide perovskites with the AMOEBA polari…