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Vinay Ishwar Hegde
Vinay Ishwar Hegde
Citrine Informatics
Verified email at citrine.io
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Year
Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
L Ward, R Liu, A Krishna, VI Hegde, A Agrawal, A Choudhary, ...
Physical Review B 96 (2), 024104, 2017
2582017
Computational investigation of half-Heusler compounds for spintronics applications
J Ma, VI Hegde, K Munira, Y Xie, S Keshavarz, DT Mildebrath, ...
Physical Review B 95 (2), 024411, 2017
2132017
High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications
AA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton
Chemistry of Materials 28 (16), 5621-5634, 2016
1812016
Ultralow Thermal Conductivity in Full Heusler Semiconductors
J He, M Amsler, Y Xia, SS Naghavi, VI Hegde, S Hao, S Goedecker, ...
Physical Review Letters 117 (4), 046602, 2016
1522016
High-throughput computational design of cathode coatings for Li-ion batteries
M Aykol, S Kim, VI Hegde, D Snydacker, Z Lu, S Hao, S Kirklin, D Morgan, ...
Nature Communications 7, 13779, 2016
1452016
High-throughput computational search for strengthening precipitates in alloys
S Kirklin, JE Saal, VI Hegde, C Wolverton
Acta Materialia 102, 125 - 135, 2016
912016
Synthesis, Characterization, Photocatalysis, and Varied Properties of TiO2 Cosubstituted with Nitrogen and Fluorine
N Kumar, U Maitra, VI Hegde, UV Waghmare, A Sundaresan, CNR Rao
Inorganic Chemistry, 2013
872013
A valence balanced rule for discovery of 18-electron half-Heuslers with defects
S Anand, K Xia, VI Hegde, U Aydemir, V Kocevski, T Zhu, C Wolverton, ...
Energy & Environmental Science 11 (6), 1480-1488, 2018
832018
Material design of high-capacity Li-rich layered-oxide electrodes: Li 2 MnO 3 and beyond
S Kim, M Aykol, VI Hegde, Z Lu, S Kirklin, JR Croy, MM Thackeray, ...
Energy & Environmental Science 10 (10), 2201-2211, 2017
832017
Network analysis of synthesizable materials discovery
M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ...
Nature communications 10 (1), 1-7, 2019
702019
Diffusion coefficients of transition metals in fcc cobalt
SS Naghavi, VI Hegde, C Wolverton
Acta Materialia 132, 467-478, 2017
582017
High-throughput study of lattice thermal conductivity in binary rocksalt and zinc blende compounds including higher-order anharmonicity
Y Xia, VI Hegde, K Pal, X Hua, D Gaines, S Patel, J He, M Aykol, ...
Physical Review X 10 (4), 041029, 2020
542020
Interplay of cation and anion redox in Li4Mn2O5 cathode material and prediction of improved Li4 (Mn, M) 2O5 electrodes for Li-ion batteries
Z Yao, S Kim, J He, VI Hegde, C Wolverton
Science Advances 4 (5), eaao6754, 2018
542018
Discovery of Calcium‐Metal Alloy Anodes for Reversible Ca‐Ion Batteries
Z Yao, VI Hegde, A Aspuru‐Guzik, C Wolverton
Advanced Energy Materials 9 (9), 1802994, 2019
492019
Designing and discovering a new family of semiconducting quaternary Heusler compounds based on the 18-electron rule
J He, SS Naghavi, VI Hegde, M Amsler, C Wolverton
Chemistry of Materials 30 (15), 4978-4985, 2018
462018
Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase
N Naghibolashrafi, S Keshavarz, VI Hegde, A Gupta, WH Butler, ...
Physical Review B 93 (10), 104424, 2016
372016
First principles analysis of graphene and its ability to maintain long-ranged interaction with H 2 S
VI Hegde, SN Shirodkar, N Tit, UV Waghmare, ZH Yamani
Surface Science 621, 168-174, 2014
352014
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 1-10, 2021
292021
Remarkable Properties of ZnO Heavily Substituted with Nitrogen and Fluorine, ZnO1‐x (N, F) x
R Saha, S Revoju, VI Hegde, UV Waghmare, A Sundaresan, CNR Rao
ChemPhysChem 14 (12), 2672-2677, 2013
282013
Crystal structure, energetics, and phase stability of strengthening precipitates in Mg alloys: A first-principles study
D Wang, M Amsler, VI Hegde, JE Saal, A Issa, BC Zhou, X Zeng, ...
Acta Materialia 158, 65-78, 2018
272018
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