Search Results for author: Brandon M. Wood

Found 4 papers, 3 papers with code

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

no code implementations25 Oct 2023 Nima Shoghi, Adeesh Kolluru, John R. Kitchin, Zachary W. Ulissi, C. Lawrence Zitnick, Brandon M. Wood

Similar success in atomic property prediction has been limited due to the challenges of training effective models across multiple chemical domains.

Property Prediction

Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations

1 code implementation ICLR 2022 Anuroop Sriram, Abhishek Das, Brandon M. Wood, Siddharth Goyal, C. Lawrence Zitnick

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.

Initial Structure to Relaxed Energy (IS2RE)

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