Efficient calculation of carrier scattering rates from first principles
Ganose, Alex M., Park, Junsoo, Faghaninia, Alireza, Woods-Robinson, Rachel, Persson, Kristin A., Jain, Anubhav
Published in Nature communications (13.04.2021)
Published in Nature communications (13.04.2021)
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Best practices in machine learning for chemistry
Artrith, Nongnuch, Butler, Keith T., Coudert, François-Xavier, Han, Seungwu, Isayev, Olexandr, Jain, Anubhav, Walsh, Aron
Published in Nature chemistry (01.06.2021)
Published in Nature chemistry (01.06.2021)
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When band convergence is not beneficial for thermoelectrics
Park, Junsoo, Dylla, Maxwell, Xia, Yi, Wood, Max, Snyder, G. Jeffrey, Jain, Anubhav
Published in Nature communications (08.06.2021)
Published in Nature communications (08.06.2021)
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Journal Article
Recent advances and applications of deep learning methods in materials science
Choudhary, Kamal, DeCost, Brian, Chen, Chi, Jain, Anubhav, Tavazza, Francesca, Cohn, Ryan, Park, Cheol Woo, Choudhary, Alok, Agrawal, Ankit, Billinge, Simon J. L., Holm, Elizabeth, Ong, Shyue Ping, Wolverton, Chris
Published in npj computational materials (05.04.2022)
Published in npj computational materials (05.04.2022)
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A framework for quantifying uncertainty in DFT energy corrections
Wang, Amanda, Kingsbury, Ryan, McDermott, Matthew, Horton, Matthew, Jain, Anubhav, Ong, Shyue Ping, Dwaraknath, Shyam, Persson, Kristin A.
Published in Scientific reports (29.07.2021)
Published in Scientific reports (29.07.2021)
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Journal Article
Computational predictions of energy materials using density functional theory
Jain, Anubhav, Shin, Yongwoo, Persson, Kristin A.
Published in Nature reviews. Materials (11.01.2016)
Published in Nature reviews. Materials (11.01.2016)
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Journal Article
Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations
Liu, Miao, Rong, Ziqin, Malik, Rahul, Canepa, Pieremanuele, Jain, Anubhav, Ceder, Gerbrand, Persson, Kristin A
Published in Energy & environmental science (01.01.2015)
Published in Energy & environmental science (01.01.2015)
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Journal Article
Data Mined Ionic Substitutions for the Discovery of New Compounds
Hautier, Geoffroy, Fischer, Chris, Ehrlacher, Virginie, Jain, Anubhav, Ceder, Gerbrand
Published in Inorganic chemistry (17.01.2011)
Published in Inorganic chemistry (17.01.2011)
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Matminer: An open source toolkit for materials data mining
Ward, Logan, Dunn, Alexander, Faghaninia, Alireza, Zimmermann, Nils E.R., Bajaj, Saurabh, Wang, Qi, Montoya, Joseph, Chen, Jiming, Bystrom, Kyle, Dylla, Maxwell, Chard, Kyle, Asta, Mark, Persson, Kristin A., Snyder, G. Jeffrey, Foster, Ian, Jain, Anubhav
Published in Computational materials science (01.09.2018)
Published in Computational materials science (01.09.2018)
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A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds
de Jong, Maarten, Chen, Wei, Notestine, Randy, Persson, Kristin, Ceder, Gerbrand, Jain, Anubhav, Asta, Mark, Gamst, Anthony
Published in Scientific reports (03.10.2016)
Published in Scientific reports (03.10.2016)
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An autonomous laboratory for the accelerated synthesis of novel materials
Szymanski, Nathan J., Rendy, Bernardus, Fei, Yuxing, Kumar, Rishi E., He, Tanjin, Milsted, David, McDermott, Matthew J., Gallant, Max, Cubuk, Ekin Dogus, Merchant, Amil, Kim, Haegyeom, Jain, Anubhav, Bartel, Christopher J., Persson, Kristin, Zeng, Yan, Ceder, Gerbrand
Published in Nature (London) (07.12.2023)
Published in Nature (London) (07.12.2023)
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Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
Ong, Shyue Ping, Chevrier, Vincent L, Hautier, Geoffroy, Jain, Anubhav, Moore, Charles, Kim, Sangtae, Ma, Xiaohua, Ceder, Gerbrand
Published in Energy & environmental science (01.01.2011)
Published in Energy & environmental science (01.01.2011)
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