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2015

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. DOI
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. DOI
Qu, Xiaohui, Anubhav Jain, Nav Nidhi Rajput, Lei Cheng, Yong Zhang, Shyue P Ong, Miriam Brafman, Edward Maginn, Larry A Curtiss, and Kristin A Persson."The Electrolyte Genome project: A big data approach in battery materials discovery."Computational Materials Science 103 (2015) 56-67. DOI
Iturrondobeitia, Amaia, Aintzane Goñi, I Orue, Izaskun Gil de Muro, Luis Lezama, Marca M Doeff, and Teófilo Rojo."Effect of Carbon Coating on the Physicochemical and Electrochemical Properties of Fe2O3 Nanoparticles for Anode Application in High Performance Lithium Ion Batteries."Inorganic Chemistry 54.11 (2015) 5239–5248. DOI
Canepa, Pieremanuele, Gopalakrishnan Sai Gautam, Rahul Malik, Saivenkataraman Jayaraman, Ziqin Rong, Kevin R Zavadil, Kristin A Persson, and Gerbrand Ceder."Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes."Chemistry of Materials 27.9 (2015) 3317 - 3325. DOI
Addy, Nathan J, Sila Kiliccote, Duncan S Callaway, and Johanna L Mathieu."How Baseline Model Implementation Choices Affect Demand Response Assessments."Journal of Solar Energy 137.2 (2015) 021008-021008-6. DOI
Yan, Qimin, Guo Li, Paul F Newhouse, Jie Yu, Kristin A Persson, John M Gregoire, and Jeffrey B Neaton."MnM2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting."Advanced Energy Materials 5 (2015). DOI
Bates, Natalie, Girish Ghatikar, Ghaleb Abdulla, Gregory A Koenig, Sridutt Bhalachandra, Mehdi Sheikhalishahi, Tapasya Patki, Barry Roundtree, and Stephen Poole."The Electrical Grid and Supercomputing Centers: An Investigative Analysis of Emerging Opportunities and Challenges."Informatik-Spektrum 28.2 (2015) 111-127. DOI
Heleno, Miguel, Manuel A Matos, and J A.Pecas Lopes."Availability and Flexibility of Loads for the Provision of Reserve."IEEE Transactions on Smart Grid 6.2 (2015) 667 - 674. DOI
de Jong, Maarten, Wei Chen, Thomas Angsten, Anubhav Jain, Randy Notestine, Anthony C 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). DOI
Moreira, Alexandre, Alexandre Street, and José M Arroyo."Energy and reserve scheduling under correlated nodal demand uncertainty: An adjustable robust optimization approach."International Journal of Electrical Power & Energy Systems 72 (2015) 91 - 98. DOI
Shao, Yuyan, Nav Nidhi Rajput, Jianzhi Hu, Mary Hu, Tianbiao Liu, Zhehao Wei, Meng Gu, Xuchu Deng, Suochang Xu, Kee Sung Han, Jiulin Wang, Zimin Nie, Guosheng Li, Kevin R Zavadil, Jie Xiao, Chongmin Wang, Wesley A Henderson, Ji-Guang Zhang, Yong Wang, Karl T Mueller, Kristin A Persson, and Jun Liu."Nanocomposite polymer electrolyte for rechargeable magnesium batteries."Nano Energy 12 (2015) 750-759. DOI
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. DOI
Ding, Hong, Bharat Medasani, Wei Chen, Kristin A Persson, Maciej Haranczyk, and Mark D Asta."PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds."Computer Physics Communications 193 (2015) 118-123. DOI
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. DOI
Park, Joong Sun, Lei Cheng, Vassilia Zorba, Apurva Mehta, Jordi Cabana, Guoying Chen, Marca M Doeff, Thomas J Richardson, Jung Hoon Park, Ji-Won Son, and Wan-Shick Hong."Effects of Crystallinity and Impurities on the Electrical Conductivity of Li-La-Zr-O Thin Films."Thin Solid Films 576 (2015) 55-60. DOI
Iturrondobeitia, Amaia, Aintzane Goñi, Izaskun Gil de Muro, Luis Lezama, Chunjoong Kim, Marca M Doeff, Jordi Cabana, and Teófilo Rojo."High-Voltage Cathode Materials for Lithium-Ion Batteries: Freeze-Dried LiMn0.8Fe0.1M0.1PO4/C (M = Fe, Co, Ni, Cu) Nanocomposites."Inorganic Chemistry 54.6 (2015) 2671–2678. DOI
Rajput, Nav Nidhi, Xiaohui Qu, Niya Sa, Anthony K Burrell, and Kristin A Persson."The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics."Journal of the American Chemical Society 137 (2015) 3411-3420. DOI
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. DOI
He, K, Huolin L Xin, K Zhao, X Yu, Dennis Nordlund, Tsu-Chien Weng, J Li, Y Jiang, C A Cadigan, R M Richards, Marca M Doeff, Xiao-Qing Yang, E A Stach, J Li, Feng Lin, and D Su."Transitions from Near-Surface to Interior Redox upon Lithiation in Conversion Electrode Materials."Nano Lett 15 (2015) 1437-44. DOI
Raj, Tilak, Preeti Saluja, and Narinder Singh."A new class of pyrene based multifunctional chemosensors for differential sensing of metals in different media: Selective recognition of Zn2+ in organic and Fe3+ in aqueous medium."Sensors and Actuators B: Chemical 206 (2015) 98 - 106. DOI
Cheng, Lei, Rajeev S Assary, Xiaohui Qu, Anubhav Jain, Shyue P Ong, Nav Nidhi Rajput, Kristin A Persson, and Larry A Curtiss."Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening."The Journal of Physical Chemistry Letters 6 (2015) 283-291. DOI
Cheng, Lei, Wei Chen, Martin Kunz, Kristin A Persson, Nobumichi Tamura, Guoying Chen, and Marca M Doeff."Effect of surface microstructure on electrochemical performance of garnet solid electrolytes."ACS Appl Mater Interfaces 7 (2015) 2073-81. DOI
Seshadri, D, M Shirpour, and Marca M Doeff."Electrochemical Properties of Electrodes Derived from NaTi3O6OH•2H2O in Sodium and Lithium Cells."Journal of the Electrochemical Society 162.1 (2015) A52-A59. DOI
Yu, Jie, Qimin Yan, Wei Chen, Anubhav Jain, Jeffrey B Neaton, and Kristin A Persson."First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst."Chemical Communications 51 (2015) 2867-2870. DOI