Publications
Publications by Research Area
Publications by Division
2019
Tshitoyan, Vahe, John Dagdelen, Leigh Weston, Alexander Dunn, Ziqin Rong, Olga Kononova, Kristin A. Persson, Gerbrand Ceder, and Anubhav Jain."Unsupervised word embeddings capture latent knowledge from materials science literature."Nature
571.7763 (2019) 95 - 98. DOI
Liang, Qiaohao, Shyam Dwaraknath, and Kristin A. Persson."High-throughput computation and evaluation of raman spectra."Scientific Data
6.1 (2019). DOI
Horton, Matthew Kristofer, Joseph Harold Montoya, Miao Liu, and Kristin A. Persson."High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory."npj Computational Materials
5.1 (2019). DOI
Fong, Kara D., Julian Self, Kyle M. Diederichsen, Brandon M. Wood, Bryan D. McCloskey, and Kristin A. Persson."Ion Transport and the True Transference Number in Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries."ACS Central Science
(2019). DOI
Lin, Ruoqian, Enyuan Hu, Mingjie Liu, Yi Wang, Hao Cheng, Jinpeng Wu, Jin-Cheng Zheng, Qin Wu, Seongmin Bak, Xiao Tong, Rui Zhang, Wanli Yang, Kristin A. Persson, Xiqian Yu, Xiao-Qing Yang, and Huolin L. Xin."Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery."Nature Communications
10.1 (2019). DOI
Seguin, Trevor J., Nathan T. Hahn, Kevin R. Zavadil, and Kristin A. Persson."Elucidating Non-aqueous Solvent Stability and Associated Decomposition Mechanisms for Mg Energy Storage Applications From First-PrinciplesTable."Frontiers in Chemistry
7 (2019). DOI
Lau, Ka-Cheong, Trevor J. Seguin, Emily V. Carino, Nathan T. Hahn, Justin G. Connell, Brian J. Ingram, Kristin A. Persson, Kevin R. Zavadil, and Chen Liao."Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte."Journal of The Electrochemical Society
166.8 (2019) A1510 - A1519. DOI
Vieten, Josua, Brendan Bulfin, Patrick Huck, Matthew Horton, Dorottya Guban, Liya Zhu, Youjun Lu, Kristin A. Persson, Martin Roeb, and Christian Sattler."Materials design of perovskite solid solutions for thermochemical applications."Energy & Environmental Science
12.4 (2019) 1369 - 1384. DOI
Andersen, Amity, Nav Nidhi Rajput, Kee Sung Han, Huilin Pan, Niranjan Govind, Kristin A. Persson, Karl T. Mueller, and Vijayakumar Murugesan."Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane."Chemistry of Materials
31.7 (2019) 2308 - 2319. 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
Garten, Lauren M., David T. Moore, Sanjini U. Nanayakkara, Shyam S. Dwaraknath, Philip Schulz, Jake Wands, Angus Rockett, Brian Newell, Kristin A. Persson, Susan Trolier-McKinstry, and David S. Ginley."The existence and impact of persistent ferroelectric domains in MAPbI 3."Science Advances
5.1 (2019) eaas9311. DOI
Singh, Arunima K., Joseph H. Montoya, John M. Gregoire, and Kristin A. Persson."Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery."Nature Communications
10.1 (2019). DOI
Cao, Chuntian, Iwnetim Iwnetu Abate, Eric Sivonxay, Badri Shyam, Chunjing Jia, Brian Moritz, Thomas P. Devereaux, Kristin A. Persson, Hans-Georg Steinrück, and Michael F. Toney."Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries."Joule
3.3 (2019) 762 - 781. DOI
Nanda, Jagjit, Guang Yang, Tingzheng Hou, Dmitry N. Voylov, Xin Li, Rose E. Ruther, Michael Naguib, Kristin A. Persson, Gabriel M. Veith, and Alexei P. Sokolov."Unraveling the Nanoscale Heterogeneity of Solid Electrolyte Interphase Using Tip-Enhanced Raman Spectroscopy."Joule
(2019). DOI
2018
Bassman, Lindsay, Pankaj Rajak, Rajiv K. Kalia, Nakano Aiichiro, Sha Fei, Jifeng Sun, David J. Singh, Muratahan Aykol, Patrick Huck, Kristin A. Persson, and Priya Vashishta."Active learning for accelerated design of layered materials."npj Computational Materials
4.1 (2018). DOI
Shin, Yongwoo, Wang Hay Kan, Muratahan Aykol, Joseph K. Papp, Bryan D. McCloskey, Guoying Chen, and Kristin A. Persson."Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection."Nature Communications
9.1 (2018). DOI
Cheng, Lei, Miao Liu, Apurva Mehta, Huolin L. Xin, Feng Lin, Kristin A. Persson, Guoying Chen, Ethan J. Crumlin, and Marca M. Doeff."Garnet Electrolyte Surface Degradation and Recovery."ACS Applied Energy Materials
1.12 (2018) 7244 - 7252. DOI
Woods-Robinson, Rachel, Danny Broberg, Alireza Faghaninia, Anubhav Jain, Shyam S. Dwaraknath, and Kristin A. Persson."Assessing High-Throughput Descriptors for Prediction of Transparent Conductors."Chemistry of Materials
30.22 (2018) 8375 - 8389. DOI
Diederichsen, Kyle M., Kara D. Fong, Rickey C. Terrell, Kristin A. Persson, and Bryan D. McCloskey."Investigation of Solvent Type and Salt Addition in High Transference Number Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries."Macromolecules
51.21 (2018) 8761 - 8771. DOI
Xu, Yun, Caleb Stetson, Kevin Wood, Eric Sivonxay, Chunsheng Jiang, Glenn Teeter, Svitlana Pylypenko, Sang-Don Han, Kristin A. Persson, Anthony Burrell, and Andriy Zakutayev."Mechanical Properties and Chemical Reactivity of Li x SiO y Thin Films."ACS Applied Materials & Interfaces
10.44 (2018) 38558 - 38564. DOI
Zhou, Lan, Aniketa Shinde, Joseph H. Montoya, Arunima K. Singh, Sheraz Gul, Junko Yano, Yifan Ye, Ethan J. Crumlin, Matthias H. Richter, Jason K. Coope, Helge S. Stein, Joel A. Haber, Kristin A. Persson, and John M. Gregoire."Rutile Alloys in the Mn–Sb–O System Stabilize Mn 3+ To Enable Oxygen Evolution in Strong Acid."ACS Catalysis
8.12 (2018) 10938 - 10948. DOI
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
Winter, I. S., J. Montoya, Kristin A. Persson, and D. C. Chrzan."Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal."Physical Review Materials
2.7 (2018). DOI
Hutchison, Danielle C., Rebecca D. Stern, Morgan R. Olsen, Lev N. Zakharov, Kristin A. Persson, and May Nyman."Alkyltin clusters: the less symmetric Keggin isomers."Dalton Transactions
47.29 (2018) 9804 - 9813. DOI
Hahn, Nathan T., Trevor J. Seguin, Ka-Cheong Lau, Chen Liao, Brian J. Ingram, Kristin A. Persson, and Kevin R. Zavadil."Enhanced Stability of the Carba- closo -dodecaborate Anion for High-Voltage Battery Electrolytes through Rational Design."Journal of the American Chemical Society
140.35 (2018) 11076 - 11084. DOI