Gerbrand Ceder

Publications

Viewing 25 of 69 publications

2016

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.

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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 D 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.

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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).

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de Jong, Maarten, Wei Chen, Randy Notestine, Kristin A Persson, Gerbrand Ceder, Anubhav Jain, Mark D Asta, and Anthony C Gamst. "A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds." Scientific Reports 6.1 (2016).

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2012

Upreti, Shailesh, Natasha A Chernova, Jie Xiao, Joel K Miller, Olga V Yakubovich, Jordi Cabana, Clare P Grey, Vincent L Chevrier, Gerbrand Ceder, Janice L Musfeldt, and M Stanley Whittingham. "Crystal structure, physical properties, and electrochemistry of copper substituted LiFePO₄ single crystals." Chemistry of Materials 24 (2012) 166–173.

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Persson, Kristin A, Bryn Waldwick, Predrag Lazic, and Gerbrand Ceder. "Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states." Physical Review B 85.23 (2012).

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2015

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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Liu, Miao, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain, Gerbrand Ceder, and Kristin A Persson. "Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations." Energy & Environmental Science 8 (2015) 964–974.

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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.

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2008

Predith, A, Gerbrand Ceder, Chris Wolverton, Kristin A Persson, and Tim Mueller. "Ab initio prediction of ordered ground-state structures in ZrO₂-Y₂O₃." Physical Review B 77 (2008).

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Sivakumar, V, Caroline A Ross, N Yabuuchi, Yang Shao-Horn, Kristin A Persson, and Gerbrand Ceder. "Electrochemical Control of the Magnetic Moment of CrO₂." Journal of The Electrochemical Society 155 (2008) P83-P88.

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Bi, Lei, Alexander R Taussig, Hyun-Suk Kim, Lei Wang, Gerald F Dionne, D Bono, Kristin A Persson, Gerbrand Ceder, and Caroline A Ross. "Structural, magnetic, and optical properties of BiFeO₃ and Bi₂FeMnO₆ epitaxial thin films: An experimental and first-principles study." Physical Review B 78 (2008) 104106.

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Doe, Robert E, Kristin A Persson, Ying Shirley Meng, and Gerbrand Ceder. "First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium." Chemistry of Materials 20.16 (2008) 5274–5283.

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2011

Jain, Anubhav, Geoffroy Hautier, Charles J Moore, Shyue P Ong, Christopher C Fischer, Tim Mueller, Kristin A Persson, and Gerbrand Ceder. "A high-throughput infrastructure for density functional theory calculations." Computational Materials Science 50 (2011) 2295–2310.

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Ong, Shyue P, Vincent L Chevrier, Geoffroy Hautier, Anubhav Jain, Charles J Moore, Sangtae Kim, XiaoHui Ma, and Gerbrand Ceder. "Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials." Energy & Environmental Science 4 (2011) 3680–3688.

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2007

Gallardo-Amores, Jose M, Neven Biskup, Ulises Amador, Kristin A Persson, Gerbrand Ceder, and M Elena Arroyo y de Dompablo. "Computational and Experimental Investigation of the Transformation of V₂O₅ Under Pressure." Chemistry of Materials 19 (2007) 5262–5271.

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2006

Persson, Kristin A, Amelia Bengtson, Gerbrand Ceder, and Dane Morgan. "Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg_1-x,Fe_x)O system." Geophysical Research Letters 33 (2006).

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Persson, Kristin A, Gerbrand Ceder, and Dane Morgan. "Spin transitions in the Fe_xMn_1-xS₂ system." Physical Review B 73 (2006).

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2003

Curtarolo, Stefano, Dane Morgan, Kristin A Persson, John Rodgers, and Gerbrand Ceder. "Predicting Crystal Structures with Data Mining of Quantum Calculations." Physical Review Letters 91 (2003).

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2013

Wu, Yabi, Predrag Lazic, Geoffroy Hautier, Kristin A Persson, and Gerbrand Ceder. "First principles high throughput screening of oxynitrides for water-splitting photocatalysts." Energy & Environmental Science 6.1 (2013) 157–168.

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Ong, Shyue P, William D Richards, Anubhav Jain, Geoffroy Hautier, Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent L Chevrier, Kristin A Persson, and Gerbrand Ceder. "Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis." Computational Materials Science 68 (2013) 314–319.

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2009

Tang, Lei, Byungchan Han, Kristin A Persson, Cody Friesen, Ting He, Karl Sieradzki, and Gerbrand Ceder. "Electrochemical stability of nanometer-scale Pt particles in acidic environments." Journal of the American Chemical Society 132.2 (2009) 596–600.

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2010

Ong, Shyue P, Anubhav Jain, Geoffroy Hautier, Byoungwoo Kang, and Gerbrand Ceder. "Thermal stabilities of delithiated olivine MPO₄ (M=Fe, Mn) cathodes investigated using first principles calculations." Electrochemistry Communications 12.3 (2010) 427–430.

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Persson, Kristin A, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, and Gerbrand Ceder. "Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations." Physical Review B 82.12-15 (2010) 125416.

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