Citation:
Liu Zhongfan. Simple Catalysis Descriptor Discovered by Symbolic Regression[J]. Acta Physico-Chimica Sinica,
;2021, 37(3): 200705.
doi:
10.3866/PKU.WHXB202007055
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-
-
[1]
Sabatier, P. Berichte der Dtsch. Chem. Gesellschaft 1911, 44 (3), 1984. doi: 10.1002/cber.19110440303. doi: 10.1002/cber.19110440303
-
[2]
Suntivich, J.; May, K. J.; Gasteiger, H. A.; Goodenough, J. B.; Shao-Horn, Y. Science 2011, 334 (6061), 1383. doi: 10.1126/science.1212858. doi: 10.1126/science.1212858
-
[3]
Man, I. C.; Su, H.-Y.; Calle-Vallejo, F.; Hansen, H. A.; Martínez, J. I.; Inoglu, N. G.; Kitchin, J.; Jaramillo, T. F.; Nørskov, J. K.; Rossmeisl, J. ChemCatChem 2011, 3 (7), 1159. doi: 10.1002/cctc.201000397. doi: 10.1002/cctc.201000397
-
[4]
Grimaud, A.; May, K. J.; Carlton, C. E.; Lee, Y. -L.; Risch, M.; Hong, W. T.; Zhou, J.; Shao-Horn, Y. Nat. Commun. 2013, 4 (1), 2439. doi: 10.1038/ncomms3439. doi: 10.1038/ncomms3439
-
[5]
Simböck, J.; Ghiasi, M.; Schönebaum, S.; Simon, U.; de Groot, F. M. F.; Palkovits, R. Nat. Commun. 2020, 11 (1), 652. doi: 10.1038/s41467-020-14305-0. doi: 10.1038/s41467-020-14305-0
-
[6]
Jacobs, R.; Hwang, J.; Shao-Horn, Y.; Morgan, D. Chem. Mater. 2019, 31 (3), 785. doi: 10.1021/acs.chemmater.8b03840. doi: 10.1021/acs.chemmater.8b03840
-
[7]
Weng, B.; Song, Z.; Zhu, R.; Yan, Q.; Sun, Q.; Grice, C. G.; Yan, Y.; Yin, W. -J. Nat. Commun. 2020, 11 (1), 3513. doi: 10.1038/s41467-020-17263-9. doi: 10.1038/s41467-020-17263-9
-
[8]
Vellido, A.; Martín-Guerrero, J.; Lisboa, P. J. Making Machine Learning Models Interpretable. In Proc ESANN; 2012; Vol. 12, pp. 163-172. doi: 10.1.1.431.5382.
-
[9]
Ouyang, R.; Curtarolo, S.; Ahmetcik, E.; Scheffler, M.; Ghiringhelli, L. M. Phys. Rev. Mater. 2018, 2 (8), 083802. doi: 10.1103/PhysRevMaterials.2.083802. doi: 10.1103/PhysRevMaterials.2.083802
-
[10]
Wang, Y.; Wagner, N.; Rondinelli, J. M. MRS Commun. 2019, 9 (3), 793. doi: 10.1557/mrc.2019.85. doi: 10.1557/mrc.2019.85
-
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