Index Catalog // Deep Blue Data

Start Over

Filtering by: Creator Glotzer, Sharon C. Language English

Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation

Creator:

Lee, Shih Kuang, Tsai, Sun Ting, and Glotzer, Sharon C.

Description:

The trajectory data and codes were generated for our work "Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation" (amidst peer review process). The data sets contain trajectory data in GSD file format for 7 test systems, including cubic structures, two-dimensional and three-dimensional patchy particle shape systems, hexagonal bipyramids with two aspect ratios, and truncated shapes with two degrees of truncation. Besides, the corresponding Python code and Jupyter notebook used to perform data augmentation, MLP classifier training, and MLP classifier testing are included.

Keyword:

Machine Learning, Colloids Self-Assembly, Crystallization, and Order Parameter

Citation to related publication:

https://doi.org/10.48550/arXiv.2312.11822

Discipline:

Other, Science, and Engineering
Data for: Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy

Creator:

Rivera-Rivera, Luis Y., Moore, Timothy C., and Glotzer, Sharon C.

Description:

The dataset is organized as follows: the data for each of the three target structures is contained within a directory with the structure name (e.g., kagome, pyrocholore and snub-square). Within each structure directory, data obtained from alchemical and self-assembly simulations are separated into alchem and self-assembly directories respectively. An additional suboptimal-self-assembly directory is only present for the snub-square structure and contains the data for the pattern registration analysis discussed in the SI. For a detailed description of each file contained within each directory, please refer to the README file.

Keyword:

inverse design, self-assembly, triblock Janus particles, crystallization slot, and digital alchemy

Citation to related publication:

Rivera-Rivera, LY, Moore, TC & SC Glotzer. Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy. Soft Matter, 2023, 19, 2726-2736 doi: 10.1039/d2sm01593e

Discipline:

Engineering

Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation

Data for: Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy

Limit your search

Resource type

Creator

Discipline

Language

Search Results

Search Constraints

Search Results

Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation

Data for: Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy

Limit your search

Resource type

Creator

Discipline

Language