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Autonomous Energy Materials Discovery Publications

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 ,Open Access , 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 ,Open Access , 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 ,Open Access , 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 ,Open Access , 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 ,Open Access , 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 ,Open Access , 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 ,Open Access , 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 ,Open Access , DOI