It is recommended to emphasize proficiency in utilizing Materials Studio and GROMACS. These software packages offer comprehensive tools for studying the chemical-physical properties and interactions between montmorillonite and anionic polymers. Highlighting experience in molecular dynamics simulations, quantum chemical calculations, and property prediction will demonstrate a strong foundation in materials science research. Additionally, familiarity with Gaussian and VASP can further enhance the application, showcasing expertise in quantum chemistry calculations and electronic structure analysis. While Accelrys Discovery Studio provides valuable molecular modelling capabilities, it may be more beneficial to prioritize the software above options for this specific research area.