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