Published June 3, 2026
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Memo re HófvarpnirHCON: A Physics-Based Framework for Crystal Density Estimation from Molecular Structure
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Description
This memo documents the development of a crystal-density estimation framework based on voxelised
molecular volume and a deterministic packing-coefficient model.
The method estimates crystal density directly from molecular structure without requiring experimentally
determined crystal structures, crystal structure prediction, or machine-learning models.
This memo serves as a time-stamped public disclosure of the conceptual framework and its
implementation direction. Detailed validation, benchmarking, and performance analysis will be
presented in a forthcoming preprint and journal publication.
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memo-HofvarpnirHCON.pdf
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