Publications

X Author: Shyue Ping Ong

2020

Liu, Haodong, Zhuoying Zhu, Qizhang Yan, Sicen Yu, Xin He, Yan Chen, Rui Zhang, Lu Ma, Tongchao Liu, Matthew Li, Ruoqian Lin, Yiming Chen, Yejing Li, Xing Xing, Yoonjung Choi, Lucy Gao, Helen Sung-yun Cho, Ke An, Jun Feng, Robert Kostecki, Khalil Amine, Tianpin Wu, Jun Lu, Huolin L. Xin, Shyue Ping Ong, and Ping Liu."A disordered rock salt anode for fast-charging lithium-ion batteries."Nature 585.7823 (2020) 63 - 67. DOI
Zheng, Hui, Xiang-Guo Li, Richard Tran, Chi Chen, Matthew Horton, Donald Winston, Kristin A. Persson, and Shyue Ping Ong."Grain boundary properties of elemental metals."Acta Materialia 186 (2020) 40 - 49. DOI

2019

Tran, Richard, Xiang-Guo Li, Joseph H. Montoya, Donald Winston, Kristin A. Persson, and Shyue Ping Ong."Anisotropic work function of elemental crystals."Surface Science 687 (2019) 48 - 55. DOI
Liu, Haodong, Zhuoying Zhu, Jason Huang, Xin He, Yan Chen, Rui Zhang, Ruoqian Lin, Yejing Li, Sicen Yu, Xing Xing, Qizhang Yan, Xiangguo Li, Matthew J. Frost, Ke An, Jun Feng, Robert Kostecki, Huolin L. Xin, Shyue Ping Ong, and Ping Liu."Elucidating the Limit of Li Insertion into the Spinel Li 4Ti 5O 12."ACS Materials Letters 1.1 (2019) 96 - 102. DOI
Zhou, Jun, Lei Shen, Miguel Dias Costa, Kristin A. Persson, Shyue Ping Ong, Patrick Huck, Yunhao Lu, Xiaoyang Ma, Yiming Chen, Hanmei Tang, and Yuan Ping Feng."2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches."Scientific Data 6.1 (2019). DOI

2018

Ye, Weike, Chi Chen, Shyam S. Dwaraknath, Anubhav Jain, Shyue Ping Ong, and Kristin A. Persson."Harnessing the Materials Project for machine-learning and accelerated discoveryAbstract."MRS Bulletin 43.9 (2018) 664 - 669. DOI
Mathew, Kiran, Chen Zheng, Donald Winston, Chi Chen, Alan Dozier, John J. Rehr, Shyue Ping Ong, and Kristin A. Persson."High-throughput computational X-ray absorption spectroscopy."Scientific Data 5 (2018) 180151. DOI
Chu, Iek-heng, Sayan Roychowdhury, Daehui Han, Anubhav Jain, and Shyue Ping Ong."Predicting the volumes of crystals."Computational Materials Science 146 (2018) 184 - 192. DOI
Zheng, Chen, Kiran Mathew, Chi Chen, Yiming Chen, Hanmei Tang, Alan Dozier, Joshua J. Kas, Fernando D. Vila, John J. Rehr, Louis F. J. Piper, Kristin A. Persson, and Shyue Ping Ong."Automated generation and ensemble-learned matching of X-ray absorption spectra."npj Computational Materials 4.1 (2018). DOI

2017

Mathew, Kiran, Joseph H. Montoya, Alireza Faghaninia, Shyam S. Dwaraknath, Muratahan Aykol, Hanmei Tang, Iek-heng Chu, Tess Smidt, Brandon Bocklund, Matthew Horton, John Dagdelen, Brandon Wood, Zi-Kui Liu, Jeffrey B. Neaton, Shyue Ping Ong, Kristin A. Persson, and Anubhav Jain."Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows."Computational Materials Science 139 (2017) 140 - 152. DOI

2016

Jain, Anubhav, Geoffroy Hautier, Shyue Ping Ong, and Kristin A. Persson."New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationshipsAbstract."Journal of Materials Research 31.8 (2016) 977 - 994. DOI
Sun, Wenhao, Stephen T. Dacek, Shyue Ping Ong, Geoffroy Hautier, Anubhav Jain, William D. Richards, Anthony C. Gamst, Kristin A. Persson, and Gerbrand Ceder."The thermodynamic scale of inorganic crystalline metastability."Science Advances 2.11 (2016) e1600225. DOI
Tran, Richard, Zihan Xu, Balachandran Radhakrishnan, Donald Winston, Wenhao Sun, Kristin A. Persson, and Shyue Ping Ong."Surface energies of elemental crystals."Scientific Data 3.1 (2016). DOI
Dunstan, Matthew T., Anubhav Jain, Wen Liu, Shyue Ping Ong, Tao Liu, Jeongjae Lee, Kristin A. Persson, Stuart A. Scott, John S. Dennis, and Clare P. Grey."Large scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture."Energy & Environmental Science 9.4 (2016) 1346 - 1360. DOI

2015

Jain, Anubhav, Shyue Ping Ong, Wei Chen, Bharat Medasan, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter, and Kristin A. Persson."FireWorks: a dynamic workflow system designed for high-throughput applications."Concurrency and Computation: Practice and Experience 27.17 (2015) 5037 - 5059. DOI