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03/21/2023
Materials Discovery with Extreme Properties via AI-Driven Combinatorial Chemistry
The goal of most materials discovery is to discover materials that are s...
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12/12/2022
Optimal Planning of Hybrid Energy Storage Systems using Curtailed Renewable Energy through Deep Reinforcement Learning
Energy management systems (EMS) are becoming increasingly important in o...
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10/27/2021
A2I Transformer: Permutation-equivariant attention network for pairwise and many-body interactions with minimal featurization
The combination of neural network potential (NNP) with molecular simulat...
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02/27/2021