Publications

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2017
Mathew, Kiran, Joseph H Montoya, Alireza Faghaninia, Shyam S Dwaraknath, Muratahan Aykol, Hanmei Tang, Iek-heng Chu, Tess Smidt, Brandon Bocklund, Matthew Horton, John Dagdelen, Brandon Wood, Zi-Kui Liu, Jeffrey B Neaton, Shyue Ping Ong, Kristin A Persson, and Anubhav Jain. "Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows." Computational Materials Science 139 (2017) 140 - 152.
Ludwig, Jennifer, Carlos Alarcón-Suesca, Stephan Geprägs, Dennis Nordlund, Marca M Doeff, Inés Puente Orench, and Tom Nilges. "Direct synthesis and characterization of mixed-valent Li 0.5−δCoPO 4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO 4." RSC Advances 7.45 (2017) 28069 - 28081.
Zhuo, Zengqing, Paul Olalde-Velasco, Timothy Chin, Vincent S Battaglia, Stephen J Harris, Feng Pan, and Wanli Yang. "Effect of excess lithium in LiMn 2O 4and Li 1.15Mn 1.85O 4electrodes revealed by quantitative analysis of soft X-ray absorption spectroscopy." Applied Physics Letters 110.9 (2017) 093902.
Oh, Kyeongmin, Tae June Kang, Sungjin Park, Michael C Tucker, Adam Z Weber, and Hyunchul Ju. "Effect of flow-field structure on discharging and charging behavior of hydrogen/bromine redox flow batteries." Electrochimica Acta 230 (2017) 160 - 173.
Evans, Tyler, Daniela Molina Piper, Huaxing Sun, Timothy Porcelli, Seul Cham Kim, Sang Sub Han, Yong Seok Choi, Chixia Tian, Dennis Nordlund, Marca M Doeff, Chunmei Ban, Sung-Jin Cho, Kyu Hwan Oh, and Se-Hee Lee. "In Situ Engineering of the Electrode-Electrolyte Interface for Stabilized Overlithiated Cathodes." Advanced Materials 29.10 (2017) 1604549.
Lee, Yonghoon, José R Chirinos, Jhanis J Gonzalez, Dayana D Oropeza, Vassilia Zorba, Xianglei Mao, Jonghyun Yoo, and Richard E Russo. "Laser-Ablation Sampling for Accurate Analysis of Sulfur in Edible Salts." Applied Spectroscopy 71.4 (2017) 651 - 658.
Pöhls, Jan-Hendrik, Alireza Faghaninia, Guido Petretto, Umut Aydemir, Francesco Ricci, Guodong Li, Max Wood, Saneyuki Ohno, Geoffroy Hautier, G. Jeffrey Snyder, Gian-Marco Rignanese, Anubhav Jain, and Mary Anne White. "Metal phosphides as potential thermoelectric materials." Journal of Materials Chemistry C 5.47 (2017) 12441 - 12456.
Grate, Jay W, Jhanis J Gonzalez, Matthew J O'Hara, Cynthia M Kellogg, Samuel S Morrison, David W Koppenaal, George C-Y Chan, Xianglei Mao, Vassilia Zorba, and Richard E Russo. "Solid matrix transformation and tracer addition using molten ammonium bifluoride salt as a sample preparation method for laser ablation inductively coupled plasma mass spectrometry." The Analyst 142.18 (2017) 3333 - 3340.
Oh, Kyeongmin, Adam Z Weber, and Hyunchul Ju. "Study of bromine species crossover in H2/Br2 redox flow batteries." International Journal of Hydrogen Energy 42.6 (2017) 3753 - 3766.
2016
Overholt, Philip, and Joseph H Eto. "Evolution of Power Grids (Transmission)." Smart Grid Handbook. Ed. Liu, Chen-Ching, Stephen McArthur, and Seung-Jae Lee. Vol. 6066146PAS-1026. Chichester, UK: John Wiley & Sons, Ltd, 2016.
Yan, Aiming, Wei Chen, Colin Ophus, Jim Ciston, Yuyuan Lin, Kristin A Persson, and Alex Zettl. "Identifying different stacking sequences in few-layer CVD-grown." Physical Review B 93.4 (2016).
Tucker, Michael C, David Lambelet, Mohamed Oueslati, Benjamin Williams, Wu-Chieh Jerry Wang, and Adam Z Weber. "Improved low-cost, non-hazardous, all-iron cell for the developing world." Journal of Power Sources 332 (2016) 111 - 117.
Dunstan, Matthew T, Anubhav Jain, Wen Liu, Shyue Ping Ong, Tao Liu, Jeongjae Lee, Kristin A Persson, Stuart A Scott, John S Dennis, and Clare P Grey. "Large scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture." Energy & Environmental Science 9.4 (2016) 1346 - 1360.
Phelan, Patrick E, Robert A Taylor, Ronald J Adrian, Ravi S Prasher, and Todd P Otanicar. "Light-induced energy conversion in liquid nanoparticle suspensions." Nanoparticle Heat Transfer and Fluid Flow. CRC Press, 2016. 123–142.
Jain, Anubhav, Geoffroy Hautier, Shyue Ping Ong, and Kristin A Persson. "New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationshipsAbstract." Journal of Materials Research 31.8 (2016) 977 - 994.
Tran, Richard, Zihan Xu, Balachandran Radhakrishnan, Donald Winston, Wenhao Sun, Kristin A Persson, and Shyue Ping Ong. "Surface energies of elemental crystals." Scientific Data 3.1 (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.
Huck, Patrick, Daniel Gunter, Shreyas Cholia, Donald Winston, Alpha T N'Diaye, and Kristin A Persson. "User applications driven by the community contribution framework MPContribs in the Materials Project." Ed. Olabarriaga, Silvia Delgado, Nancy Wilkins-Diehr, Waleed W Smari, Mohamed Bakhouya, Sandro Fiore, and Giovanni Aloisio. Concurrency and Computation: Practice and Experience 28.7 (2016) 1982 - 1993.
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
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.
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.
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.
Jain, Anubhav, Shyue Ping Ong, Wei Chen, Bharat Medasan, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter, and Kristin A Persson. "FireWorks: a dynamic workflow system designed for high-throughput applications." Concurrency and Computation: Practice and Experience 27.17 (2015) 5037 - 5059.
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.
Olsen, Daniel, Arian Aghajanzadeh, and Aimee T McKane. Opportunities for Automated Demand Response in California Agricultural Irrigation. 2015. LBNL-1003786.

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