Qbox software free download is a tools for molecular dynamics simulation in computational chemistry. Qbox is a C++/MPI scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is designed for operation on large parallel computers.
Qbox is developed and maintained at the University of California Davis. Development is currently supported by a collaboration with the DOE Midwest Integrated Center for Computational Materials.