 
Molphys  Molphys workstation with 4 physical processors AMD Interlagos Opteron 6200 (64 cores) and 148 GB on RAM memory, under the operative sistem CentOS  
Fismol 10  Fismol 10 Workstation with 4 physical procesors AMD Opteron (16 cores) and 32 GB on RAM. Working under the operative sistem of CentOS 4.2  
Fismol 12  Fismol 12 Workstation with 4 physical procesors AMD Opteron (16 cores) and 32 GB on RAM. Working under the operative sistem of CentOS 4.2  
Fismol 8  Fismol 8 Cluster counts with one master node and 9 slave nodes, it
works under de operative system of Rocks (x8664 bits SMP, based on
CentOS 4.2) with 60 AMD Phenom II cores and 64 GB on RAM.  
Fermi  Fermi Workstation with an AMD Phenom II (4 cores) processor and 8GB on RAM, it is equiped with an NVIDIA QUADRO GPU 600 video card with 25.6 GB/s bandwidth and 96 cuda cores.  
Amsterdam Density Functional  ADF
is an accurate, parallelized, powerful computational chemistry program
to understand and predict chemical structure and reactivity with
density functional theory (DFT). Heavy elements and transition metals
are accurately modeled with ADF's reliable relativistic ZORA approach
and allelectron basis sets for the whole periodic table. A vast range
of spectroscopic properties and comprehensive analysis tools yield
invaluable insight in chemical structure and reactivity.  
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling. VASP computes an approximate solution to the manybody Schr�dinger equation, either within density functional theory (DFT) In VASP, central quantities, like the oneelectron orbitals, the electronic charge density, and the local potential are expressed in plane wave basis sets. The interactions between the electrons and ions are described using normconserving or ultrasoft pseudopotentials, or the projectoraugmentedwave method  
GAMESS is a program
for ab initio molecular quantum chemistry. Briefly, GAMESS can compute
SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF.
Correlation corrections to these SCF wavefunctions include
Configuration Interaction, second order perturbation Theory, and
CoupledCluster approaches, as well as the Density Functional Theory
approximation. Excited states can be computed by CI, EOM, or TDDFT
procedures. Nuclear gradients are available, for automatic geometry
optimization, transition state searches, or reaction path following.


PetaChem, LLC is
devoted to enabling quantum chemistry and first principles dynamics for
molecular materials and biological molecules. Our focus is speed and we
achieve this through redesign of modern algorithms for stream
processors like the CUDA enabled GPU architectures from NVIDIA.
