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Autonomous Energy Materials Discovery Publications
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Autonomous Energy Materials Discovery Publications
Displaying 1 - 10 of 25
2022
M. C. Sorkun ,
Artificial Intelligence-driven Discovery of Materials for Energy Applications
F. Chang, I. Tezsevin, J. de Rijk, J.D. Meeldijk, J.P. Hofmann, S. Er, P. Ngene, P.E. de Jongh ,
Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis
, Nat. Catal.
, 5 (2022) 222–230
,
,
DOI
Q. Zhang, A. Khetan, E. Sorkun, F. Niu, A. Loss, I. Pucher, S. Er ,
Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries
, Energy Storage Mater.
, 47 (2022) 167-177
,
,
DOI
M. C. Sorkun, D. Mullaj, J. M. V. A. Koelman, S. Er ,
ChemPlot, a Python Library for Chemical Space Visualization
, Chem. Methods
, 2 (2022) e202200005
,
,
DOI
E. Sorkun, Q. Zhang, A. Khetan, M. C. Sorkun, S. Er ,
RedDB, a computational database of electroactive molecules for aqueous redox flow batteries
, Nat. Sci. Data
, 9 (2022) 718
,
,
DOI
Q. Zhang, A. Khetan, E. Sorkun, S. Er ,
Discovery of aza-aromatic anolytes for aqueous redox flow batteries via high-throughput screening
, J. Mater. Chem. A
, 10 (2022) 22214-22227
,
,
2022_5462.pdf
,
DOI
X. Zhou ,
High-throughput computational screening of organic molecules for organic ion battery cathodes
2021
I. Tezsevin, M.C. M. van de Sanden, S. Er ,
High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes
, J. Phys. Chem. Lett.
, 12 (2021) 4160-4165
,
,
2021_4750.pdf
,
DOI
Z. Liu, T. Hussain, A. Karton, S. Er ,
Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization
, Appl. Surf. Sci.
, 556 (2021) 149709
,
,
DOI
Q. Zhang, A. Khetan, S. Er ,
A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage
, Sci. Rep.
, 11 (2021) 4089
,
,
DOI
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