Publications
Publications by Category
2021
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. DOI
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). DOI
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). DOI
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. DOI
Karin, Todd, and Anubhav Jain."Photovoltaic String Sizing Using Site-Specific Modeling."IEEE Journal of Photovoltaics
10.3 (2020) 888 - 897. DOI
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. DOI
Dylla, Maxwell T, Alexander Dunn, Shashwat Anand, Anubhav Jain, and G. G Jeffrey Snyder."Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials."Research
2020 (2020) 1 - 8. DOI
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). DOI
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. DOI
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. DOI
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. DOI
2019
Ganose, Alex, and Anubhav Jain."Robocrystallographer: automated crystal structure text descriptions and analysisAbstract."MRS Communications
9.3 (2019) 874 - 881. DOI
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. DOI
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. DOI
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. DOI
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. DOI
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. DOI
Wang, Qi, and Anubhav Jain."A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses."Nature Communications
10.1 (2019). DOI
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. 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. DOI
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. DOI
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. 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. DOI
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. DOI
Li, Juan, Xinyue Zhang, Zhiwei Chen, Siqi Lin, Wen Li, Jiahong Shen, Ian T Witting, Alireza Faghaninia, Yue Chen, Anubhav Jain, Lidong Chen, G. G Jeffrey Snyder, and Yanzhong Pei."Low-Symmetry Rhombohedral GeTe Thermoelectrics."Joule
2.5 (2018) 976 - 987. DOI
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. G Jeffrey Snyder, Ian Foster, and Anubhav Jain."Matminer: An open source toolkit for materials data mining."Computational Materials Science
152 (2018) 60 - 69. DOI
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. DOI