Vinay Ishwar Hegde
Vinay Ishwar Hegde
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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
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
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
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
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
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
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
High-throughput computational search for strengthening precipitates in alloys
S Kirklin, JE Saal, VI Hegde, C Wolverton
Acta Materialia 102, 125 - 135, 2016
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
Network analysis of synthesizable materials discovery
M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ...
Nature communications 10 (1), 2018, 2019
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
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
Diffusion coefficients of transition metals in fcc cobalt
SS Naghavi, VI Hegde, C Wolverton
Acta Materialia 132, 467-478, 2017
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
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
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
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
The phase stability network of all inorganic materials
VI Hegde, M Aykol, S Kirklin, C Wolverton
Science Advances 6 (9), eaay5606, 2020
First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry
S Kim, VI Hegde, Z Yao, Z Lu, M Amsler, J He, S Hao, JR Croy, E Lee, ...
ACS applied materials & interfaces 10 (16), 13479-13490, 2018
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
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