Anubhav Jain

Publications

Viewing 25 of 90 publications

2019

Shi, Xuemin, Cheng Sun, Zhonglin Bu, Xinyue Zhang, Yixuan Wu, Siqi Lin, Wen Li, Alireza Faghaninia, Anubhav Jain, and Yanzhong Pei. "Revelation of Inherently High Mobility Enables Mg ₃Sb ₂as a Sustainable Alternative to n‐Bi₂ Te ₃ Thermoelectrics." Advanced Science 6.16 (2019) 1802286.

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Urban, Jeffrey J, Akanksha K Menon, Zhiting Tian, Anubhav Jain, and Kedar Hippalgaonkar. "New horizons in thermoelectric materials: Correlated electrons, organic transport, machine learning, and more." Journal of Applied Physics 125.18 (2019) 180902.

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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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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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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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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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2018

Pöhls, Jan-Hendrik, Zhe Luo, Umut Aydemir, Jon-Paul Sun, Shiqiang Hao, Jiangang He, Ian G Hill, Geoffroy Hautier, Anubhav Jain, Xiaoqin Zeng, Chris Wolverton, G Jeffrey Snyder, Hong Zhu, and Mary Anne White. "First-principles calculations and experimental studies of XYZ₂ thermoelectric compounds: detailed analysis of van der Waals interactions." Journal of Materials Chemistry A 6.40 (2018) 19502–19519.

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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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Li, Juan, Xinyue Zhang, Zhiwei Chen, Siqi Lin, Wen Li, Jiahong Shen, Ian T Witting, Alireza Faghaninia, Yue Chen, Anubhav Jain, Lidong Chen, G Jeffrey Snyder, and Yanzhong Pei. "Low-Symmetry Rhombohedral GeTe Thermoelectrics." Joule 2.5 (2018) 976–987.

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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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Chu, Iek-heng, Sayan Roychowdhury, Daehui Han, Anubhav Jain, and Shyue Ping Ong. "Predicting the volumes of crystals." Computational Materials Science 146 (2018) 184–192.

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2017

Wu, Yixuan, Wen Li, Alireza Faghaninia, Zhiwei Chen, Juan Li, Xinyue Zhang, Bo Gao, Siqi Lin, Binqiang Zhou, Anubhav Jain, and Yanzhong Pei. "Promising thermoelectric performance in van der Waals layered SnSe2." Materials Today Physics 3 (2017) 127–136.

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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.

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Zimmermann, Nils E. R, Matthew K Horton, Anubhav Jain, and Maciej Haranczyk. "Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization." Frontiers in Materials 4 (2017).

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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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Ricci, Francesco, Wei Chen, Umut Aydemir, G Jeffrey Snyder, Gian-Marco Rignanese, Anubhav Jain, and Geoffroy Hautier. "An ab initio electronic transport database for inorganic materials." Scientific Data 4.1 (2017).

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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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Faghaninia, Alireza, Guodong Yu, Umut Aydemir, Max Wood, Wei Chen, Gian-Marco Rignanese, G Jeffrey Snyder, Geoffroy Hautier, and Anubhav Jain. "A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS ₃) and related substitutions." Physical Chemistry Chemical Physics 19.9 (2017) 6743–6756.

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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

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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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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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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