Fullerene compounds made simulation-ready

Hollow football-shaped carbon structures, called fullerenes, have applications in areas ranging from artificial photosynthesis and nonlinear optics, to the production of photoactive films and nanostructures. In a new study published in EPJ D, Kirill B. Agapev from ITMO University, St. Petersburg, Russia, and colleagues have developed a method that can be used for future simulations of fullerene complexes and thus help understand their characteristics.