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07/20/2023
Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances
Zeolites are inorganic materials known for their diversity of applicatio...
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02/12/2023
Data efficiency and extrapolation trends in neural network interatomic potentials
Over the last few years, key architectural advances have been proposed f...
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01/21/2023
mkite: A distributed computing platform for high-throughput materials simulations
Advances in high-throughput simulation (HTS) software enabled computatio...
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01/27/2021
Adversarial Attacks on Uncertainty Enable Active Learning for Neural Network Potentials
Neural network (NN)-based interatomic potentials provide fast prediction...
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07/02/2019