Nima Shoghi

The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts

Richard Tran, Janice Lan, Muhammed Shuaibi et al. · ACS Catalysis · 2023 · 252 citations

Engineering, Machine Learning, Machine Learning Models +17

Open Challenges in Developing Generalizable Large-Scale Machine-Learning Models for Catalyst Discovery

Adeesh Kolluru, Muhammed Shuaibi, Aini Palizhati et al. · ACS Catalysis · 2022 · 60 citations

Transfer learning using attentions across atomic systems with graph neural networks (TAAG)

Adeesh Kolluru, Nima Shoghi, Muhammed Shuaibi et al. · The Journal of Chemical Physics · 2022 · 31 citations

Artificial Intelligence, Graph Representation Learning, Machine Learning +18

From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction

Nima Shoghi, Adeesh Kolluru, John R. Kitchin et al. · arXiv (Cornell University) · 2023 · 21 citations · Full text