Inside Cover, Volume 33, Issue 28

The performance of the massive parallel version of CRYSTAL09 has been studied on different HPC architectures for mesoporous silica MCM‐41, a system consisting of a large primitive cell (41 × 41 × 12 Å) with 579 atoms (H 102 O 335 Si 142 ) and no point symmetry, as presented by Roberto Dovesi and colleagues on page 2276 . MCM‐41 is characterized by a long range ordered network of hexagonal pores and amorphous walls at short range. B3LYP/6‐31G(d,p) full converged SCF plus gradient calculations on up to 1 × 1 × 10 MCM‐41 supercells (5790 atoms) have been performed with up to 2048 cores on three different HPC architectures, showing that runs with up to 1 AOs are now feasible.