Kristin A Persson

Publications

Viewing 25 of 184 publications

2018

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.

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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.

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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.

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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.

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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.

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Latimer, Katherine, Shyam S Dwaraknath, Kiran Mathew, Donald Winston, and Kristin A Persson. "Evaluation of thermodynamic equations of state across chemistry and structure in the materials project." npj Computational Materials 4.1 (2018).

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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.

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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).

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Chen, Xiang, Tingzheng Hou, Kristin A Persson, and Qiang Zhang. "Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectives." Materials Today 22 (2018) 142–158.

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Petretto, Guido, Shyam S Dwaraknath, Henrique P.C Miranda, Donald Winston, Matteo Giantomassi, Michiel J van Setten, Xavier Gonze, Kristin A Persson, Geoffroy Hautier, and Gian-Marco Rignanese. "High-throughput density-functional perturbation theory phonons for inorganic materials." Scientific Data 5 (2018) 180065.

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Ward, Logan, Alexander Dunn, Alireza Faghaninia, Nils E. R Zimmermann, Saurabh Bajaj, Qi Wang, Joseph Montoya, Jiming Chen, Kyle Bystrom, Maxwell Dylla, Kyle Chard, Mark D Asta, Kristin A Persson, G Jeffrey Snyder, Ian Foster, and Anubhav Jain. "Matminer: An open source toolkit for materials data mining." Computational Materials Science 152 (2018) 60–69.

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Tabor, Daniel P, Loïc M Roch, Semion K Saikin, Christoph Kreisbeck, Dennis Sheberla, Joseph H Montoya, Shyam S Dwaraknath, Muratahan Aykol, Carlos Ortiz, Hermann Tribukait, Carlos Amador-Bedolla, Christoph J Brabec, Benji Maruyama, Kristin A Persson, and Alán Aspuru-Guzik. "Accelerating the discovery of materials for clean energy in the era of smart automation." Nature Reviews Materials 3.5 (2018) 5–20.

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Garten, Lauren M, Shyam S Dwaraknath, Julian Walker, John S Mangum, Paul F Ndione, Yoonsang Park, Daniel A Beaton, Venkatraman Gopalan, Brian P Gorman, Laura T Schelhas, Michael F Toney, SusanTrolier ‐McKinstry, Kristin A Persson, and David S Ginley. "Theory‐Guided Synthesis of a Metastable Lead‐Free Piezoelectric Polymorph." Advanced Materials 30.25 (2018) 1800559.

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Rajput, Nav Nidhi, Trevor J Seguin, Brandon M Wood, Xiaohui Qu, and Kristin A Persson. "Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review." Topics in Current Chemistry 376.3 (2018).

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Aykol, Muratahan, Shyam S Dwaraknath, Wenhao Sun, and Kristin A Persson. "Thermodynamic limit for synthesis of metastable inorganic materials." Science Advances 4.4 (2018) eaaq0148.

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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).

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Bassman, Lindsay, Pankaj Rajak, Rajiv K Kalia, Aiichiro Nakano, Fei Sha, Muratahan Aykol, Patrick Huck, Kristin A Persson, Jifeng Sun, David J Singh, and Priya Vashishta. "Efficient Discovery of Optimal N -Layered TMDC Hetero-StructuresABSTRACT." MRS Advances 3.6-7 (2018) 397–402.

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Self, Julian, Brandon M Wood, Nav Nidhi Rajput, and Kristin A Persson. "The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF ₆ and LiAsF ₆ in Dimethyl Carbonate." The Journal of Physical Chemistry C 122.4 (2018) 1990–1994.

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Zimmermann, Nils E. R, Daniel C. Hannah Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, and Kristin A Persson. "Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models." The Journal of Physical Chemistry Letters 9.3 (2018) 628–634.

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Aykol, Muratahan, and Kristin A Persson. "Oxidation Protection with Amorphous Surface Oxides: Thermodynamic Insights from Ab Initio Simulations on Aluminum." ACS Applied Materials & Interfaces 10.3 (2018) 3039–3045.

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2017

Rajput, Nav Nidhi, Vijayakumar Murugesan, Yongwoo Shin, Kee Sung Han, Kah Chun Lau, Junzheng Chen, Jun Liu, Larry A Curtiss, Karl T Mueller, and Kristin A Persson. "Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions." Chemistry of Materials 29.8 (2017) 3375–3379.

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Yi, Tanghong, Wei Chen, Lei Cheng, Ryan D Bayliss, Feng Lin, Michael R Plews, Dennis Nordlund, Marca M Doeff, Kristin A Persson, and Jordi Cabana. "Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites." Chemistry of Materials 29.4 (2017) 1561–1568.

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Newhouse, Paul F, Sebastian E Reyes-Lillo, Guo Li, Lan Zhou, Aniketa Shinde, Dan Guevarra, Santosh K Suram, Edwin Soedarmadji, Matthias H Richter, Xiaohui Qu, Kristin A Persson, Jeffrey B Neaton, and John M Gregoire. "Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode." Chemistry of Materials 29.23 (2017) 10027–10036.

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Singh, Arunima K, Lan Zhou, Aniketa Shinde, Santosh K Suram, Joseph H Montoya, Donald Winston, John M Gregoire, and Kristin A Persson. "Electrochemical Stability of Metastable Materials." Chemistry of Materials 29.23 (2017) 10159–10167.

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