Ulissi Group
Research group of Zack Ulissi at CMU
- 53 followers
- Pittsburgh, PA
- http://ulissigroup.cheme.cmu.edu/
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Repositories
Showing 10 of 50 repositories
- tmQM_wB97MV Public
Code for "Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Dataset"
- wherewulff Public
WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
- charge-density-models Public
- finetuna-2023-manuscript Public
- cluster_mlp Public
A Genetic algorithm + active learning framework to identify the optimal metallic nanoclusters for a given number of atoms
- finetuna_manuscript Public
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