Publication of Analysis of CO₂ adsorption dynamics of MOF using NEB method

We have published an application case provided by Tokyo Institute of Technology. In this case study, they utilized Matlantis to elucidate the mechanism by which a specific Metal-organic Framework (MOF) with isolated pores, having no external connections, exhibits selective CO₂ adsorption and storage properties.

For the full article, click here: Read the detailed computational case study.