Publications
2022
RedDB, a computational database of electroactive molecules for aqueous redox flow batteries ,
Nat. Sci. Data 9 (2022) 718 ,
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Discovery of aza-aromatic anolytes for aqueous redox flow batteries via high-throughput screening ,
J. Mater. Chem. A 10 (2022) 22214-22227 ,
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ChemPlot, a Python Library for Chemical Space Visualization ,
Chem. Methods 2 (2022) e202200005 ,
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Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis ,
Nat. Catal. 5 (2022) 222–230 ,
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Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries ,
Energy Storage Mater. 47 (2022) 167-177 ,
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2021
Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries ,
Batteries 7 (2021) 71 ,
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