Anubhav Jain

Publications

Viewing 25 of 90 publications

2025

Lee, Sanghoon, Kevin Cruse, Viktoriia Baibakova, Gerbrand Ceder, and Anubhav Jain. "Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model." Scientific Data 12.1 (2025).

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Chen, Xin, Baojie Li, Jennifer L Braid, Brandon Byford, Dylan J Colvin, Andrew Glaws, Norman Jost, Benjamin Pierce, Salil Rabade, Martin Springer, and Anubhav Jain. "Open data sets for assessing photovoltaic system reliability." Applied Energy 395 (2025) 126132.

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Riebesell, Janosh, Rhys E. A Goodall, Philipp Benner, Yuan Chiang, Bowen Deng, Gerbrand Ceder, Mark D Asta, Alpha A Lee, Anubhav Jain, and Kristin A Persson. "A framework to evaluate machine learning crystal stability predictions." Nature Machine Intelligence 7.6 (2025) 836–847.

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Baibakova, Viktoriia, Kevin Cruse, Michael G Taylor, Carolin M Sutter-Fella, Gerbrand Ceder, Anubhav Jain, and Samuel M Blau. "Precursor reaction pathway leading to BiFeO₃ formation: insights from text-mining and chemical reaction network analyses." Digital Discovery 4.6 (2025) 1602–1611.

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Chen, Xin, Todd Karin, and Anubhav Jain. "Analyzing the impact of design factors on solar module thermomechanical durability using interpretable machine learning techniques." Applied Energy 377 (2025) 124462.

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2024

Jain, Anubhav, Tianzhen Hong, Mary Ann Piette, Michael D Sohn, Will Gorman, Alexandre Moreira, Lazlo Paul, Haitam Laarabi, and Maher Alghalayini. Frontiers in Energy Storage: Next-Generation Artificial Intelligence (AI). 2024.

2022

Baibakova, Viktoriia, Mahmoud Elzouka, Sean D Lubner, Ravi S Prasher, and Anubhav Jain. "Optical emissivity dataset of multi-material heterogeneous designs generated with automated figure extractionAbstract." Scientific Data 9.1 (2022).

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He, Xin, Jue Wu, Zhuoying Zhu, Haodong Liu, Ning Li, Dong Zhou, Xu Hou, Jun Wang, Haowei Zhang, Dominic Bresser, Yanbao Fu, Matthew J Crafton, Bryan D McCloskey, Yan Chen, Ke An, Ping Liu, Anubhav Jain, Jie Li, Wanli Yang, Yong Yang, Martin Winter, and Robert Kostecki. "Chemical and structural evolutions of Li–Mn-rich layered electrodes at different current densities." Energy & Environmental Science 15.10 (2022) 4137–4147.

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Lilley, Drew, Peiyuan Yu, Jason Ma, Anubhav Jain, and Ravi S Prasher. "Thermal fluids with high specific heat capacity through reversible Diels-Alder reactions." iScience 25.1 (2022) 103540.

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2021

Lilley, Drew, Peiyuan Yu, Jason Ma, Anubhav Jain, and Ravi S Prasher. "Thermal Fluids with High Specific Heat Capacity through Reversible Diels–Alder Reactions." iScience (2021) 103540.

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Lilley, Drew, Anubhav Jain, and Ravi S Prasher. "A simple model for the entropy of melting of monatomic liquids." Applied Physics Letters 118.8 (2021) 083902.

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2020

Park, Junsoo, Yi Xia, Alex M Ganose, Anubhav Jain, and Vidvuds Ozoliņš. "High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds." Physical Review Applied 14.2 (2020).

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Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain. "Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory." Journal of Computational Chemistry 41.24 (2020) 2137–2150.

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Bartel, Christopher J, Amalie Trewartha, Qi Wang, Alexander Dunn, Anubhav Jain, and Gerbrand Ceder. "A critical examination of compound stability predictions from machine-learned formation energies." npj Computational Materials 6.1 (2020).

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Karin, Todd, and Anubhav Jain. "Photovoltaic String Sizing Using Site-Specific Modeling." IEEE Journal of Photovoltaics 10.3 (2020) 888–897.

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Dylla, Maxwell T, Alexander Dunn, Shashwat Anand, Anubhav Jain, and G Jeffrey Snyder. "Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials." Research 2020 (2020) 1–8.

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Gorai, Prashun, Alex Ganose, Alireza Faghaninia, Anubhav Jain, and Vladan Stevanović. "Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials." Materials Horizons 7.7 (2020) 1809–1818.

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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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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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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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Jordan, Dirk C, Wei Luo, Anubhav Jain, Mashad U Saleh, Heidi von Korff, Yang Hu, Jean-Nicolas Jaubert, Fotis Mavromatakis, Chris Deline, Michael Deceglie, Ambarish Nag, Gregory M Kimball, Adam B Shinn, Jim J John, Aaesha A Alnuaimi, and Ammar B.A Elnosh. "Reducing Interanalyst Variability in Photovoltaic Degradation Rate Assessments." IEEE Journal of Photovoltaics 10.1 (2020) 206–212.

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2019

Ganose, Alex, and Anubhav Jain. "Robocrystallographer: automated crystal structure text descriptions and analysisAbstract." MRS Communications 9.3 (2019) 874–881.

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Weston, L, V Tshitoyan, John Dagdelen, O Kononova, A Trewartha, Kristin A Persson, G Ceder, and Anubhav Jain. "Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature." Journal of Chemical Information and Modeling 59.9 (2019) 3692–3702.

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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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