| Accelerated search for materials with targeted properties by adaptive design D Xue, PV Balachandran, J Hogden, J Theiler, D Xue, T Lookman Nature communications 7 (1), 1-9, 2016 | 784 | 2016 |
| Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design T Lookman, PV Balachandran, D Xue, R Yuan npj Computational Materials 5 (1), 21, 2019 | 440 | 2019 |
| Accelerated Discovery of Large Electrostrains in BaTiO3‐Based Piezoelectrics Using Active Learning R Yuan, Z Liu, PV Balachandran, D Xue, Y Zhou, X Ding, J Sun, D Xue, ... Advanced materials 30 (7), 1702884, 2018 | 353 | 2018 |
| Experimental search for high-temperature ferroelectric perovskites guided by two-step machine learning PV Balachandran, B Kowalski, A Sehirlioglu, T Lookman Nature communications 9 (1), 1668, 2018 | 268 | 2018 |
| Adaptive strategies for materials design using uncertainties PV Balachandran, D Xue, J Theiler, J Hogden, T Lookman Scientific reports 6 (1), 19660, 2016 | 246 | 2016 |
| An informatics approach to transformation temperatures of NiTi-based shape memory alloys D Xue, D Xue, R Yuan, Y Zhou, PV Balachandran, X Ding, J Sun, ... Acta Materialia 125, 532-541, 2017 | 222 | 2017 |
| Predictions of new perovskite compounds by combining machine learning and density functional theory PV Balachandran, AA Emery, JE Gubernatis, T Lookman, C Wolverton, ... Physical Review Materials 2 (4), 043802, 2018 | 206 | 2018 |
| Finding new perovskite halides via machine learning G Pilania, PV Balachandran, C Kim, T Lookman Frontiers in Materials 3, 19, 2016 | 193 | 2016 |
| Chemical gradients in human enamel crystallites KA DeRocher, PJM Smeets, BH Goodge, MJ Zachman, PV Balachandran, ... Nature 583 (7814), 66-71, 2020 | 175 | 2020 |
| Multi-objective optimization for materials discovery via adaptive design AM Gopakumar, PV Balachandran, D Xue, JE Gubernatis, T Lookman Scientific reports 8 (1), 3738, 2018 | 161 | 2018 |
| Effect of interfacial octahedral behavior in ultrathin manganite films EJ Moon, PV Balachandran, BJ Kirby, DJ Keavney, RJ Sichel-Tissot, ... Nano letters 14 (5), 2509-2514, 2014 | 148 | 2014 |
| Accelerated search for BaTiO3-based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning D Xue, PV Balachandran, R Yuan, T Hu, X Qian, ER Dougherty, ... Proceedings of the National Academy of Sciences 113 (47), 13301-13306, 2016 | 139 | 2016 |
| Roadmap on machine learning in electronic structure HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ... Electronic Structure 4 (2), 023004, 2022 | 137 | 2022 |
| Statistical inference and adaptive design for materials discovery T Lookman, PV Balachandran, D Xue, J Hogden, J Theiler Current Opinion in Solid State and Materials Science 21 (3), 121-128, 2017 | 124 | 2017 |
| Identifying the ‘inorganic gene’for high-temperature piezoelectric perovskites through statistical learning PV Balachandran, SR Broderick, K Rajan Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2011 | 112 | 2011 |
| Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides PV Balachandran, JM Rondinelli Physical Review B 88, 054101, 2013 | 108 | 2013 |
| Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field D Karpov, Z Liu, TS Rolo, R Harder, PV Balachandran, D Xue, T Lookman, ... Nature communications 8 (1), 280, 2017 | 97 | 2017 |
| Polarization screening-induced magnetic phase gradients at complex oxide interfaces SR Spurgeon, PV Balachandran, DM Kepaptsoglou, AR Damodaran, ... Nature communications 6 (1), 6735, 2015 | 90 | 2015 |
| Materials prediction via classification learning PV Balachandran, J Theiler, JM Rondinelli, T Lookman Scientific reports 5 (1), 13285, 2015 | 89 | 2015 |
| Learning from data to design functional materials without inversion symmetry PV Balachandran, J Young, T Lookman, JM Rondinelli Nature communications 8 (1), 14282, 2017 | 88 | 2017 |
