Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
Canepa, Pieremanuele, Sai Gautam, Gopalakrishnan, Hannah, Daniel C, Malik, Rahul, Liu, Miao, Gallagher, Kevin G, Persson, Kristin A, Ceder, Gerbrand
Published in Chemical reviews (08.03.2017)
Published in Chemical reviews (08.03.2017)
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Wide Band Gap Chalcogenide Semiconductors
Woods-Robinson, Rachel, Han, Yanbing, Zhang, Hanyu, Ablekim, Tursun, Khan, Imran, Persson, Kristin A, Zakutayev, Andriy
Published in Chemical reviews (13.05.2020)
Published in Chemical reviews (13.05.2020)
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Efficient calculation of carrier scattering rates from first principles
Ganose, Alex M, Park, Junsoo, Faghaninia, Alireza, Woods-Robinson, Rachel, Persson, Kristin A, Jain, Anubhav
Published in Nature communications (13.04.2021)
Published in Nature communications (13.04.2021)
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Computational predictions of energy materials using density functional theory
Jain, Anubhav, Shin, Yongwoo, Persson, Kristin A.
Published in Nature reviews. Materials (11.01.2016)
Published in Nature reviews. Materials (11.01.2016)
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Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations
Xie, Xiaowei, Persson, Kristin A, Small, David W
Published in Journal of chemical theory and computation (14.07.2020)
Published in Journal of chemical theory and computation (14.07.2020)
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A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis
McDermott, Matthew J, Dwaraknath, Shyam S, Persson, Kristin A
Published in Nature communications (25.05.2021)
Published in Nature communications (25.05.2021)
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Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations
Liu, Miao, Rong, Ziqin, Malik, Rahul, Canepa, Pieremanuele, Jain, Anubhav, Ceder, Gerbrand, Persson, Kristin A
Published in Energy & environmental science (01.01.2015)
Published in Energy & environmental science (01.01.2015)
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Nucleation of metastable aragonite CaCO₃ in seawater
Sun, Wenhao, Jayaraman, Saivenkataraman, Chen, Wei, Persson, Kristin A., Ceder, Gerbrand
Published in Proceedings of the National Academy of Sciences - PNAS (17.03.2015)
Published in Proceedings of the National Academy of Sciences - PNAS (17.03.2015)
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Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery
Singh, Arunima K., Montoya, Joseph H., Gregoire, John M., Persson, Kristin A.
Published in Nature communications (25.01.2019)
Published in Nature communications (25.01.2019)
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The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
Ong, Shyue Ping, Cholia, Shreyas, Jain, Anubhav, Brafman, Miriam, Gunter, Dan, Ceder, Gerbrand, Persson, Kristin A.
Published in Computational materials science (01.02.2015)
Published in Computational materials science (01.02.2015)
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Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes
Fong, Kara D, Self, Julian, McCloskey, Bryan D, Persson, Kristin A
Published in Macromolecules (23.03.2021)
Published in Macromolecules (23.03.2021)
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Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization
Tian, Yaosen, Zeng, Guobo, Rutt, Ann, Shi, Tan, Kim, Haegyeom, Wang, Jingyang, Koettgen, Julius, Sun, Yingzhi, Ouyang, Bin, Chen, Tina, Lun, Zhengyan, Rong, Ziqin, Persson, Kristin, Ceder, Gerbrand
Published in Chemical reviews (10.02.2021)
Published in Chemical reviews (10.02.2021)
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Robust and synthesizable photocatalysts for CO 2 reduction: a data-driven materials discovery
Singh, Arunima K, Montoya, Joseph H, Gregoire, John M, Persson, Kristin A
Published in Nature communications (01.12.2019)
Published in Nature communications (01.12.2019)
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