AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning.
CoRR, 2022
The Open Catalyst Challenge 2021: Competition Report.
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Proceedings of the NeurIPS 2021 Competitions and Demonstrations Track, 2021
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage.
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CoRR, 2020
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks.
J. Chem. Inf. Model., 2019
Dynamic Workflows for Routine Materials Discovery in Surface Science.
J. Chem. Inf. Model., 2018