Home

Citation: Liu Zhongfan. Simple Catalysis Descriptor Discovered by Symbolic Regression[J]. Acta Physico-Chimica Sinica, ;2021, 37(3): 200705. doi: 10.3866/PKU.WHXB202007055 shu

Simple Catalysis Descriptor Discovered by Symbolic Regression

Liu Zhongfan

College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

Author Bio: Zhongfan Liu. Email:
Available Online: 24 July 2020

1. [1]
  Sabatier, P. Berichte der Dtsch. Chem. Gesellschaft 1911, 44 (3), 1984. doi: 10.1002/cber.19110440303. doi: 10.1002/cber.19110440303
2. [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. [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. [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. [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. [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. [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. [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. [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. [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
1. [1]
  Xinghai Li , Zhisen Wu , Lijing Zhang , Shengyang Tao . Machine Learning Enables the Prediction of Amide Bond Synthesis Based on Small Datasets. Acta Physico-Chimica Sinica, 2025, 41(2): 100010-. doi: 10.3866/PKU.WHXB202309041
2. [2]
  Jiali CHEN , Guoxiang ZHAO , Yayu YAN , Wanting XIA , Qiaohong LI , Jian ZHANG . Machine learning exploring the adsorption of electronic gases on zeolite molecular sieves. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 155-164. doi: 10.11862/CJIC.20240408
3. [3]
  Jia Zhou , Huaying Zhong . Experimental Design of Computational Materials Science Combined with Machine Learning. University Chemistry, 2025, 40(3): 171-177. doi: 10.12461/PKU.DXHX202406004
4. [4]
  Xintian Xie , Sicong Ma , Yefei Li , Cheng Shang , Zhipan Liu . Application of Machine Learning Potential-based Theoretical Simulations in Undergraduate Teaching Laboratory Course Design. University Chemistry, 2025, 40(3): 140-147. doi: 10.12461/PKU.DXHX202405164
5. [5]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
6. [6]
  Yufang GAO , Nan HOU , Yaning LIANG , Ning LI , Yanting ZHANG , Zelong LI , Xiaofeng LI . Nano-thin layer MCM-22 zeolite: Synthesis and catalytic properties of trimethylbenzene isomerization reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1079-1087. doi: 10.11862/CJIC.20240036
7. [7]
  Yan Xiao , Shuling Li , Yifan Li , Jianing Fan , Linlin Shi . Discovering the Beauty of Life: Adding Some “Ingredients” to Crystals. University Chemistry, 2024, 39(6): 366-372. doi: 10.3866/PKU.DXHX202312025
8. [8]
  Junqiao Zhuo , Xinchen Huang , Qi Wang . Symbol Representation of the Packing-Filling Model of the Crystal Structure and Its Application. University Chemistry, 2024, 39(3): 70-77. doi: 10.3866/PKU.DXHX202311100
9. [9]
  Gaofeng Zeng , Shuyu Liu , Manle Jiang , Yu Wang , Ping Xu , Lei Wang . Micro/Nanorobots for Pollution Detection and Toxic Removal. University Chemistry, 2024, 39(9): 229-234. doi: 10.12461/PKU.DXHX202311055
10. [10]
  Huanhuan XIE , Yingnan SONG , Lei LI . Two-dimensional single-layer BiOI nanosheets: Lattice thermal conductivity and phonon transport mechanism. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 702-708. doi: 10.11862/CJIC.20240281
11. [11]
  Yong Shu , Xing Chen , Sai Duan , Rongzhen Liao . How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂. University Chemistry, 2024, 39(7): 386-393. doi: 10.3866/PKU.DXHX202310102
12. [12]
  Changsheng Lu . Discovering-and-Sharing Model: a Case of the Inorganic Chemistry Course in the Chemistry “101 Plan”. University Chemistry, 2024, 39(10): 78-83. doi: 10.12461/PKU.DXHX202408028
13. [13]
  Guangming Yang , Yunhui Long . Design and Implementation of Analytical Chemistry Curriculum Based on the Learning Community of Teachers and Students. University Chemistry, 2024, 39(3): 132-137. doi: 10.3866/PKU.DXHX202309089
14. [14]
  Yuting Zhang , Zhiqian Wang . Methods and Case Studies for In-Depth Learning of the Aldol Reaction Based on Its Reversible Nature. University Chemistry, 2024, 39(7): 377-380. doi: 10.3866/PKU.DXHX202311037
15. [15]
  Jinkang Jin , Yidian Sheng , Ping Lu , Zhan Lu . Introducing a Website for Learning Nuclear Magnetic Resonance (NMR) Spectrum Analysis. University Chemistry, 2024, 39(11): 388-396. doi: 10.12461/PKU.DXHX202403054
16. [16]
  Xiaoxuan Yu , Wukun Liu . Practice of Ideological and Political Education in Medicinal Chemistry for Pharmacy Administration Major: A Case Study on the Discovery of Cisplatin’s Anticancer Function. University Chemistry, 2025, 40(4): 408-414. doi: 10.12461/PKU.DXHX202405200
17. [17]
  Weina Wang , Lixia Feng , Fengyi Liu , Wenliang Wang . Computational Chemistry Experiments in Facilitating the Study of Organic Reaction Mechanism: A Case Study of Electrophilic Addition of HCl to Asymmetric Alkenes. University Chemistry, 2025, 40(3): 206-214. doi: 10.12461/PKU.DXHX202407022
18. [18]
  Fangxuan Liu , Ziyan Liu , Guowei Zhou , Tingting Gao , Wenyu Liu , Bin Sun . Hollow structured photocatalysts. Acta Physico-Chimica Sinica, 2025, 41(7): 100071-. doi: 10.1016/j.actphy.2025.100071
19. [19]
  Wenlong LI , Xinyu JIA , Jie LING , Mengdan MA , Anning ZHOU . Photothermal catalytic CO₂ hydrogenation over a Mg-doped In₂O_3-x catalyst. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 919-929. doi: 10.11862/CJIC.20230421
20. [20]
  Kun WANG , Wenrui LIU , Peng JIANG , Yuhang SONG , Lihua CHEN , Zhao DENG . Hierarchical hollow structured BiOBr-Pt catalysts for photocatalytic CO₂ reduction. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1270-1278. doi: 10.11862/CJIC.20240037

Get Citation

PDF

XML

Metrics

PDF Downloads(6)
Abstract views(1168)
HTML views(221)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return