Journal of Materials Chemistry issue 46 is a themed issue on Modelling of Materials with guest editors Julian D. Gale and Mark Wilson. They indroduce the topic in thier editorial which you can read here.
The paper featured on the front cover is ‘Titania-water interactions: a review of theoretical studies’ by Chenghua Sun, Li-Min Liu, Annabella Selloni, Gao Qing (Max) Lu and Sean C. Smith which reviews major theoretical outcomes regarding the interaction of water with TiO2 surfaces.
The paper featured on the inside cover is ‘Linear aggregation and liquid-crystalline order: comparison of Monte Carlo simulation and analytic theory’ by Tatiana Kuriabova, M. D. Betterton and Matthew A. Glaser in which the team studies coupled linear aggregation and liquid crystal ordering with a new coarse-grained sticky cylinder model.