DACAPO is an ab-initio quantum mechanical molecular dynamics

Molecular dynamics

Molecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...

 (MD) code using pseudopotential

Pseudopotential

In physics, a pseudopotential or effective potential is used as an approximation for the simplified description of complex systems. Applications include atomic physics and neutron scattering.- Atomic physics :...

s and a plane wave basis set. It has been developed at the institute of physics at the Technical University of Denmark. It is part of The CAMP Open Software project (CAMPOS).

Currently the Dacapo software must be used from the Atomic Simulation Environment of CAMd via the Jacapo interface.