Data provided by National Institute of Standards and Technology
Dataset and workflow for the Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules. This is associated with manuscript "Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules" by Jarod Worden, Eric Cockayne, and Kevin F. Garrity. The primary investigated systems are silicon, SiO2, HfO2, ZrCu, and Al2O3.
About this Dataset
Updated: 2025-11-16
Metadata Last Updated:
2025-05-09 00:00:00
Date Created:
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Dataset Owner:
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| Title | "Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules" dataset. |
|---|---|
| Description | Dataset and workflow for the Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules. This is associated with manuscript "Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules" by Jarod Worden, Eric Cockayne, and Kevin F. Garrity. The primary investigated systems are silicon, SiO2, HfO2, ZrCu, and Al2O3. |
| Modified | 2025-05-09 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | Density functional theory , amorphous structures , CHIPS |
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"title": "\"Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules\" dataset.",
"description": "Dataset and workflow for the Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules. This is associated with manuscript \"Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules\" by Jarod Worden, Eric Cockayne, and Kevin F. Garrity. The primary investigated systems are silicon, SiO2, HfO2, ZrCu, and Al2O3.",
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"theme": [
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