Publications

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2016
Liu, Miao, Anubhav Jain, Ziqin Rong, Xiaohui Qu, Pieremanuele Canepa, Rahul Malik, Gerbrand Ceder, and Kristin A Persson. "Evaluation of sulfur spinel compounds for multivalent battery cathode applications." Energy & Environmental Science 9.10 (2016) 3201 - 3209.
Sun, Xiaoqi, Patrick Bonnick, Victor Duffort, Miao Liu, Ziqin Rong, Kristin A Persson, Gerbrand Ceder, and Linda F Nazar. "A high capacity thiospinel cathode for Mg batteries." Energy & Environmental Science 9.7 (2016) 2273 - 2277.
Jain, Anubhav, Kristin A Persson, and Gerbrand Ceder. "Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases." APL Materials 4.5 (2016).
de Jong, Maarten, Wei Chen, Randy Notestine, Kristin A Persson, Gerbrand Ceder, Anubhav Jain, Mark D Asta, and Anthony Gamst. "A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds." Scientific Reports 6.1 (2016).
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.
Aydemir, Umut, Jan-Hendrik Pöhls, Hong Zhu, Geoffroy Hautier, Saurabh Bajaj, Zachary M Gibbs, Wei Chen, Guodong Li, Saneyuki Ohno, Danny Broberg, Stephen Dongmin Kang, Mark Asta, Gerbrand Ceder, Mary Anne White, Kristin A Persson, Anubhav Jain, and G. Jeffrey Snyder. "YCuTe 2 : a member of a new class of thermoelectric materials with CuTe 4 -based layered structure." Journal of Materials Chemistry A 4.7 (2016) 2461 - 2472.
2015
de Jong, Maarten, Wei Chen, Thomas Angsten, Anubhav Jain, Randy Notestine, Anthony Gamst, Marcel Sluiter, Chaitanya Krishna Ande, Sybrand van der Zwaag, Jose J Plata, Cormac Toher, Stefano Curtarolo, Gerbrand Ceder, Kristin A Persson, and Mark D Asta. "Charting the complete elastic properties of inorganic crystalline compounds." Scientific Data 2 (2015).
Zhu, Hong, Geoffroy Hautier, Umut Aydemir, Zachary M Gibbs, Guodong Li, Saurabh Bajaj, Jan-Hendrik Pöhls, Danny Broberg, Wei Chen, Anubhav Jain, Mary Anne White, Mark D Asta, G. Jeffrey Snyder, Kristin A Persson, and Gerbrand Ceder. "Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening." Journal of Materials Chemistry C 3.40 (2015) 10554 - 10565.
Canepa, Pieremanuele, Saivenkataraman Jayaraman, Lei Cheng, Nav Nidhi Rajput, William D Richards, Gopalakrishnan Sai Gautam, Larry A Curtiss, Kristin A Persson, and Gerbrand Ceder. "Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries." Energy & Environmental Science 8.12 (2015) 3718 - 3730.
Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin A Persson, and Gerbrand Ceder. "First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5." Chemical Communications 51.71 (2015) 13619 - 13622.
Ong, Shyue P, Shreyas Cholia, Anubhav Jain, Miriam Brafman, Dan Gunter, Gerbrand Ceder, and Kristin A Persson. "The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles." Computational Materials Science 97 (2015) 209-215.
Rong, Ziqin, Rahul Malik, Pieremanuele Canepa, Sai Gautam Gopalakrishnan, Miao Liu, Anubhav Jain, Kristin A Persson, and Gerbrand Ceder. "Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures." Chemistry of Materials 27.17 (2015) 6016 - 6021.
Sun, Wenhao, Saivenkataraman Jayaraman, Wei Chen, Kristin A Persson, and Gerbrand Ceder. "Nucleation of metastable aragonite CaCO3 in seawater." Proceedings of the National Academy of Sciences 112 (2015) 3199-3204.

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