Institution:
BigDFT
Open source software for innovative research of materials and macro-molecular systems at the nanoscale
Researcher/s:
Stephan Mohr (PhD)
Website:
https://l_sim.gitlab.io/bigdft-doc/index.html
Description:
BigDFT is a computational chemistry software package that uses wavelet-based density functional theory (DFT) to simulate electronic structures. It incorporates linear scaling methods, which allow efficient computations for large systems by scaling computational cost linearly with the system size. This makes it suitable for studying large biomolecules, materials, and nanostructures.
Problem:
N/A
Solution:
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Aplication areas:
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Novelty:
N/A
Protection:
GPL License (Version 2.0)
Target market:
N/A
Keywords:
computing architecture
TRL: N/A
CRL: N/A
BRL: N/A
IPRL: N/A
TmRL: N/A
FRL: N/A
More information
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