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Joint Density Functional Theory

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JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

JDFTx Web Site


  • Electronic DFT
  • Classical DFT
  • Solvation models
  • Wannier functions
  • Electron-phonon interactions
  • Hybrid MPI/pthreads parallelization
  • CUDA support for GPU acceleration


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