Shyam S Dwaraknath
Publications
Viewing 12 of 12 publications
2020
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs." Inorganic Chemistry 59.18 (2020) 13639–13650.
, , , , , , , , , , , , , , , and . "Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems." Chemistry of Materials 32.7 (2020) 2836–2842.
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The existence and impact of persistent ferroelectric domains in MAPbI 3." Science Advances 5.1 (2019) eaas9311.
, , , , , , , , , , and . "2018
Assessing High-Throughput Descriptors for Prediction of Transparent Conductors." Chemistry of Materials 30.22 (2018) 8375–8389.
, , , , , and . "Harnessing the Materials Project for machine-learning and accelerated discoveryAbstract." MRS Bulletin 43.9 (2018) 664–669.
, , , , , and . "Evaluation of thermodynamic equations of state across chemistry and structure in the materials project." npj Computational Materials 4.1 (2018).
, , , , and . "High-throughput density-functional perturbation theory phonons for inorganic materials." Scientific Data 5 (2018) 180065.
, , , , , , , , , and . "Accelerating the discovery of materials for clean energy in the era of smart automation." Nature Reviews Materials 3.5 (2018) 5–20.
, , , , , , , , , , , , , , and . "Theory‐Guided Synthesis of a Metastable Lead‐Free Piezoelectric Polymorph." Advanced Materials 30.25 (2018) 1800559.
, , , , , , , , , , , , , and . "Thermodynamic limit for synthesis of metastable inorganic materials." Science Advances 4.4 (2018) eaaq0148.
, , , and . "2017
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows." Computational Materials Science 139 (2017) 140–152.
, , , , , , , , , , , , , , , , and . "2016
Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection." ACS Applied Materials & Interfaces 8.20 (2016) 13086–13093.
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