Nanomaterial simulation packages
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Quantum-Dots-Models-Library-for-DFT-Simulations
Quantum-Dots-Models-Library-for-DFT-Simulations Public
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Showing 10 of 34 repositories
- QD_Builder Public
A Python package for building quantum dot nanocrystals using Wulff construction, facet-dependent surface energies, and coordination-aware ligand passivation.
- charge_flow Public
The charge_flow package analyzes and visualizes charge transfer among atoms and bonds in materials or molecules.
- MLFF_QD_ChatBot Public
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