Anubhav Jain

Publications

Viewing 25 of 83 publications

2019

Ellis, Benjamin H, Michael Deceglie, and Anubhav Jain. "Automatic Detection of Clear-Sky Periods From Irradiance Data." IEEE Journal of Photovoltaics 9.4 (2019) 998–1005.

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Kuo, Jimmy Jiahong, Umut Aydemir, Jan-Hendrik Pöhls, Fei Zhou, Guodong Yu, Alireza Faghaninia, Francesco Ricci, Mary Anne White, Gian-Marco Rignanese, Geoffroy Hautier, Anubhav Jain, and G Jeffrey Snyder. "Origins of ultralow thermal conductivity in 1-2-1-4 quaternary selenides." Journal of Materials Chemistry A 7.6 (2019) 2589–2596.

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Yu, Peiyuan, Anubhav Jain, and Ravi S Prasher. "Enhanced Thermochemical Heat Capacity of Liquids: Molecular to Macroscale Modeling." Nanoscale and Microscale Thermophysical Engineering 23.3 (2019) 235–246.

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Tshitoyan, Vahe, John Dagdelen, Leigh Weston, Alexander Dunn, Ziqin Rong, Olga Kononova, Kristin A Persson, Gerbrand Ceder, and Anubhav Jain. "Unsupervised word embeddings capture latent knowledge from materials science literature." Nature 571.7763 (2019) 95–98.

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Wang, Qi, and Anubhav Jain. "A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses." Nature Communications 10.1.

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2020

Zimmermann, Nils E. R, and Anubhav Jain. "Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity." RSC Advances 10.10 (2020) 6063–6081.

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Smidt, Tess E, Stephanie A Mack, Sebastian E Reyes-Lillo, Anubhav Jain, and Jeffrey B Neaton. "An automatically curated first-principles database of ferroelectrics." Scientific Data 7.1 (2020).

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Mrdjenovich, David, Matthew K Horton, Joseph H Montoya, Christian M Legaspi, Shyam Dwaraknath, Vahe Tshitoyan, Anubhav Jain, and Kristin A Persson. "propnet: A Knowledge Graph for Materials Science." Matter 2.2 (2020) 464–480.

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2015

Huck, Patrick, Anubhav Jain, Dan Gunter, Donald Winston, and Kristin A Persson. "A Community Contribution Framework for Sharing Materials Data with Materials Project." 2015 IEEE 11th International Conference on e-Science (e-Science)2015 IEEE 11th International Conference on e-Science. Munich, Germany: IEEE, 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.

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Frischmann, Peter D, Laura C. H Gerber, Sean E Doris, Erica Y Tsai, Frank Y Fan, Xiaohui Qu, Anubhav Jain, Kristin A Persson, Yet-Ming Chiang, and Brett A Helms. "Supramolecular Perylene Bisimide-Polysulfide Gel Networks as Nanostructured Redox Mediators in Dissolved Polysulfide Lithium–Sulfur Batteries." Chemistry of Materials 27.19 (2015) 6765–6770.

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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.

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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.

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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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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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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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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.

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Qu, Xiaohui, Yong Zhang, Nav Nidhi Rajput, Anubhav Jain, Edward Maginn, and Kristin A Persson. "Computational Design of New Magnesium Electrolytes with Improved Properties." The Journal of Physical Chemistry C 121.30 (2017) 16126–16136.

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Gibbs, Zachary M, Francesco Ricci, Guodong Li, Hong Zhu, Kristin A Persson, Gerbrand Ceder, Geoffroy Hautier, Anubhav Jain, and G Jeffrey Snyder. "Effective mass and Fermi surface complexity factor from ab initio band structure calculations." npj Computational Materials 3.1 (2017).

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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.

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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.

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Chen, Wei, Jan-Hendrik Pöhls, Geoffroy Hautier, Danny Broberg, Saurabh Bajaj, Umut Aydemir, Zachary M Gibbs, Hong Zhu, Mark D Asta, G Jeffrey Snyder, Bryce Meredig, Mary Anne White, Kristin A Persson, and Anubhav Jain. "Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment." Journal of Materials Chemistry C 4.20 (2016) 4414–4426.

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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.

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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.

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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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