Computational Ressources

1. Cluster: 

• 16 nodes
• each with 2 Intel Xeon processors (3,06 GHZ)
• each with 6 GB RAM

2. Cluster:

• 24 nodes
• each with 2 AMD Opteron processors (2,4 GHZ)
• each with 8 GB RAM

3. Cluster:

• 18 nodes
• each with 2 Dual Core AMD Opteron processors (2,4 GHZ)
• each with 16 GB RAM

4. Cluster:

• 18 nodes
• each with 2 Dual Core AMD Opteron processors (2,4 GHZ)
• each with 16 GB RAM

5. Cluster:

• 12 nodes
• each with Intel Xeon Quad Duo processors (3,16 GHZ)
• RAM: 2 nodes with 64 GB RAM and 10 nodes with 32 GB RAM

Quantum Chemistry Programs

• ACES II (University of Mainz)
• CFOUR (University of Mainz) 
• DALTON (University of Olso)
• DFTB (Bremen Center of Computational Materials Sciene)
• Dirac08 (University of Southern Denmark) 
• DIRCCR12 (Integral-direct explicitly-correlated coupled-cluster program)
• MOLPRO (University College Cardiff Consultants Ltd)
• MRCC (TU Budapest)
• SORE (Integral-direct explicitly-correlated second-order Møller-Plesset perturbation theory program)
• TURBOMOLE (University of Karlsruhe)
• VASP (University of Wien)