| 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 | 398 | 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 | 319 | 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 | 272 | 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 | 218 | 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 | 193 | 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 | 144 | 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 | 132 | 2018 |
| High-throughput computational search for strengthening precipitates in alloys S Kirklin, JE Saal, VI Hegde, C Wolverton Acta Materialia 102, 125 - 135, 2016 | 108 | 2016 |
| Network analysis of synthesizable materials discovery M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ... Nature communications 10 (1), 2018, 2019 | 105 | 2019 |
| 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 | 102 | 2017 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 96 | 2021 |
| 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 | 93 | 2013 |
| 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 | 85 | 2019 |
| Diffusion coefficients of transition metals in fcc cobalt SS Naghavi, VI Hegde, C Wolverton Acta Materialia 132, 467-478, 2017 | 81 | 2017 |
| 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 | 76 | 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 | 75 | 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 | 46 | 2018 |
| The phase stability network of all inorganic materials VI Hegde, M Aykol, S Kirklin, C Wolverton Science Advances 6 (9), eaay5606, 2020 | 43 | 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 | 43 | 2018 |
| Exploring the high-pressure materials genome M Amsler, VI Hegde, SD Jacobsen, C Wolverton Physical Review X 8 (4), 041021, 2018 | 40 | 2018 |
Chris WolvertonProfessor of Materials Science and Eng., Northwestern UniversityEmail verificata su northwestern.edu