Jain, Anubhav

TitleChemist Research Sci/Engr
InstitutionLawrence Berkeley National Lab
DepartmentEnergy Storage & Distributed R
Address1 Cyclotron Road
Berkeley CA 94720
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    1. Ricci F, Chen W, Aydemir U, Snyder GJ, Rignanese GM, Jain A, Hautier G. An ab initio electronic transport database for inorganic materials. Sci Data. 2017 07 04; 4:170085. PMID: 28675382.
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    2. Faghaninia A, Yu G, Aydemir U, Wood M, Chen W, Rignanese GM, Snyder GJ, Hautier G, Jain A. A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutions. Phys Chem Chem Phys. 2017 Mar 01; 19(9):6743-6756. PMID: 28211934.
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    3. Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G. The thermodynamic scale of inorganic crystalline metastability. Sci Adv. 2016 Nov; 2(11):e1600225. PMID: 28138514.
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    4. de Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds. Sci Rep. 2016 Oct 03; 6:34256. PMID: 27694824.
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    5. de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. Charting the complete elastic properties of inorganic crystalline compounds. Sci Data. 2015; 2:150009. PMID: 25984348; PMCID: PMC4432655.
    6. Jain A, Hautier G, Ong SP, Dacek S, Ceder G. Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study. Phys Chem Chem Phys. 2015 Feb 28; 17(8):5942-53. PMID: 25636088.
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    7. Yu J, Yan Q, Chen W, Jain A, Neaton JB, Persson KA. First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst. Chem Commun (Camb). 2015 Feb 18; 51(14):2867-70. PMID: 25582626.
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    8. Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening. J Phys Chem Lett. 2015 Jan 15; 6(2):283-91. PMID: 26263464.
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    9. Hautier G, Fischer C, Ehrlacher V, Jain A, Ceder G. Data mined ionic substitutions for the discovery of new compounds. Inorg Chem. 2011 Jan 17; 50(2):656-63. PMID: 21142147.
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    10. Jain A, Stojanoff V. Are you centered? An automatic crystal-centering method for high-throughput macromolecular crystallography. J Synchrotron Radiat. 2007 Jul; 14(Pt 4):355-60. PMID: 17587661.
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