Nanomaterial simulation packages
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- MLFF_QD_ChatBot Public
nlesc-nano/MLFF_QD_ChatBot’s past year of commit activity - charge_flow Public
The charge_flow package analyzes and visualizes charge transfer among atoms and bonds in materials or molecules.
nlesc-nano/charge_flow’s past year of commit activity - QD_Builder Public
A Python package for building quantum dot nanocrystals using Wulff construction, facet-dependent surface energies, and coordination-aware ligand passivation.
nlesc-nano/QD_Builder’s past year of commit activity - SOC Public
nlesc-nano/SOC’s past year of commit activity - CAT Public
A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
nlesc-nano/CAT’s past year of commit activity
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