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QUANTUM MULTISCALE
DFTpy is a Python based code to run orbital-free DFT simulations. Million-atom systems are approachable thanks to the highly efficient parallelization and algorithms (such as PME and novel OF-DFT solvers).
Gitlab repo
dftpy.rutgers.edu
Home
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DFTpy
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Schools
Hackathons
Program FA 2023
Program SU 2024
Publications