Divalent-doped Na3Zr2Si2PO12 natrium superionic conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases
Samiee, Mojtaba, Radhakrishnan, Balachandran, Rice, Zane, Deng, Zhi, Meng, Ying Shirley, Ong, Shyue Ping, Luo, Jian
Published in Journal of power sources (15.04.2017)
Published in Journal of power sources (15.04.2017)
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A high-throughput infrastructure for density functional theory calculations
Jain, Anubhav, Hautier, Geoffroy, Moore, Charles J., Ping Ong, Shyue, Fischer, Christopher C., Mueller, Tim, Persson, Kristin A., Ceder, Gerbrand
Published in Computational materials science (01.06.2011)
Published in Computational materials science (01.06.2011)
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Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture
Dunstan, Matthew T, Jain, Anubhav, Liu, Wen, Ong, Shyue Ping, Liu, Tao, Lee, Jeongjae, Persson, Kristin A, Scott, Stuart A, Dennis, John S, Grey, Clare P
Published in Energy & environmental science (01.04.2016)
Published in Energy & environmental science (01.04.2016)
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Comparison of the polymorphs of VOPO4 as multi-electron cathodes for rechargeable alkali-ion batteries
Lin, Yuh-Chieh, Hidalgo, Marc F. V., Chu, Iek-Heng, Chernova, Natasha A., Whittingham, M. Stanley, Ong, Shyue Ping
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2017)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2017)
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Journal Article
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Chen, Chi, Ye, Weike, Zuo, Yunxing, Zheng, Chen, Ong, Shyue Ping
Published in Chemistry of materials (14.05.2019)
Published in Chemistry of materials (14.05.2019)
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Journal Article
Deep neural networks for accurate predictions of crystal stability
Ye, Weike, Chen, Chi, Wang, Zhenbin, Chu, Iek-Heng, Ong, Shyue Ping
Published in Nature communications (18.09.2018)
Published in Nature communications (18.09.2018)
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Journal Article
Li−Fe−P−O2 Phase Diagram from First Principles Calculations
Ong, Shyue Ping, Wang, Lei, Kang, Byoungwoo, Ceder, Gerbrand
Published in Chemistry of materials (11.03.2008)
Published in Chemistry of materials (11.03.2008)
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Journal Article
Grain boundary properties of elemental metals
Zheng, Hui, Li, Xiang-Guo, Tran, Richard, Chen, Chi, Horton, Matthew, Winston, Donald, Persson, Kristin Aslaug, Ong, Shyue Ping
Published in Acta materialia (01.03.2020)
Published in Acta materialia (01.03.2020)
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Journal Article
Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor
Zhu, Zhuoying, Chu, Iek-Heng, Deng, Zhi, Ong, Shyue Ping
Published in Chemistry of materials (22.12.2015)
Published in Chemistry of materials (22.12.2015)
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Journal Article
Performance and Cost Assessment of Machine Learning Interatomic Potentials
Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, Ong, Shyue Ping
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
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Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
Yin, Sheng, Zuo, Yunxing, Abu-Odeh, Anas, Zheng, Hui, Li, Xiang-Guo, Ding, Jun, Ong, Shyue Ping, Asta, Mark, Ritchie, Robert O
Published in Nature communications (11.08.2021)
Published in Nature communications (11.08.2021)
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Journal Article
A disordered rock salt anode for fast-charging lithium-ion batteries
Liu, Haodong, Zhu, Zhuoying, Yan, Qizhang, Yu, Sicen, He, Xin, Chen, Yan, Zhang, Rui, Ma, Lu, Liu, Tongchao, Li, Matthew, Lin, Ruoqian, Chen, Yiming, Li, Yejing, Xing, Xing, Choi, Yoonjung, Gao, Lucy, Cho, Helen Sung-Yun, An, Ke, Feng, Jun, Kostecki, Robert, Amine, Khalil, Wu, Tianpin, Lu, Jun, Xin, Huolin L, Ong, Shyue Ping, Liu, Ping
Published in Nature (London) (03.09.2020)
Published in Nature (London) (03.09.2020)
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Journal Article
A Facile Mechanism for Recharging Li2O2 in Li–O2 Batteries
Kang, ShinYoung, Mo, Yifei, Ong, Shyue Ping, Ceder, Gerbrand
Published in Chemistry of materials (27.08.2013)
Published in Chemistry of materials (27.08.2013)
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Journal Article
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
Ong, Shyue Ping, Chevrier, Vincent L, Hautier, Geoffroy, Jain, Anubhav, Moore, Charles, Kim, Sangtae, Ma, Xiaohua, Ceder, Gerbrand
Published in Energy & environmental science (01.01.2011)
Published in Energy & environmental science (01.01.2011)
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