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ASE-visualizations

Visualizations of atomic systems with Atomic Simulation Environment

Nanocluster Optimization using ASE:

Use optimization.ipynb or optimization.py to run a simple optimization of a metallic nanocluster on a metallic support (using an EMT potential): A simple metal nanocluster optimization with an EMT potential

Visualizing Periodic Trends with different Encodings and Embeddings:

Use periodic_tsne_khot.py or periodic_tsne_subplots to create 2d, static visualizations of trends in the periodic table, particularly groups, using various embeddings like T-SNE and elemental encodings: A 2d visualization showing UMAP embeddings of the elements on the periodic table created from the crystal-graph-convolutional-neural-network (CGCNN) encodings

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Visualizations of atomic systems with Atomic Simulation Environment

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