oimeitei/quemb

QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.

PythonStars 5Forks 6Watchers 5Open issues 8License Apache License 2.0
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Owneroimeitei
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Last pushed2024-11-04
Last updated2025-12-14
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