Facilities

Software

GAUSSIAN (www.gaussian.com) for molecules or clusters models

CRYSTAL (www.crystal.unito.it) for periodic calculations with localized orbitals

VASP (http://cms.mpi.univie.ac.at/vasp/) for periodic calculations with plane waves

QUANTUM-ESPRESSO (www.quantum-espresso.org) for periodic calculations with plane waves

Hardware

The Quantum Chemistry group at the University of Milan-Bicocca has at disposal several Linux clusters with in total 15 nodes: 14 nodes with each 64 AMD Opteron Processors, 1 node with 32 64 AMD Opteron Processors, and some smaller workstations.

Additional resources are at disposal through access to European Computing Centers: CINECA (Bologna), and BSC (Barcelona Supercomputing Center).