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The Carr-Parrinello Molecular Dynamics^[1], better known as CPMD, is a package for performing ab-initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. This code is a parallelized implementation of density functional theory.

The present version is 3.13.2.

[edit] See also

• Car-Parrinello method
• CP2K
• Density functional theory
• Fractional coordinates
• Quantum chemistry computer programs
• Folding@Home

[edit] References

1. ^ R. Car and M. Parrinello (1985). "Unified Approach for Molecular Dynamics and Density-Functional Theory". Phys. Rev. Lett. 55: 2471–2474. 

[edit] External links

• http://www.cpmd.org

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