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QianGroupPage/PARSEC.py
Python-based real-space Kohn-Sham DFT accelerated by machine-learned charge density (J.
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- Updated
- 8월 7일
- Language
- Python
- License
- GPL-3.0
#charge-density#computational-chemistry#density-functional-theory#electronic-structure#gpu#kohn-sham#machine-learning#parsec