| Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites H Tan, F Che, M Wei, Y Zhao, MI Saidaminov, P Todorović, D Broberg, ... Nature communications 9 (1), 3100, 2018 | 302 | 2018 |
| Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment W Chen, JH Pöhls, G Hautier, D Broberg, S Bajaj, U Aydemir, ZM Gibbs, ... Journal of Materials Chemistry C 4 (20), 4414-4426, 2016 | 267 | 2016 |
| PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators D Broberg, B Medasani, NER Zimmermann, G Yu, A Canning, ... Computer Physics Communications 226, 165-179, 2018 | 213 | 2018 |
| Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening H Zhu, G Hautier, U Aydemir, ZM Gibbs, G Li, S Bajaj, JH Pöhls, ... Journal of Materials Chemistry C 3 (40), 10554-10565, 2015 | 128 | 2015 |
| Assessing high-throughput descriptors for prediction of transparent conductors R Woods-Robinson, D Broberg, A Faghaninia, A Jain, SS Dwaraknath, ... Chemistry of Materials 30 (22), 8375-8389, 2018 | 79 | 2018 |
| Role of point defects in spinel Mg chalcogenide conductors P Canepa, G Sai Gautam, D Broberg, SH Bo, G Ceder Chemistry of Materials 29 (22), 9657-9667, 2017 | 70 | 2017 |
| YCuTe 2: a member of a new class of thermoelectric materials with CuTe 4-based layered structure U Aydemir, JH Pöhls, H Zhu, G Hautier, S Bajaj, ZM Gibbs, W Chen, G Li, ... Journal of Materials Chemistry A 4 (7), 2461-2472, 2016 | 63 | 2016 |
| High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications D Broberg, K Bystrom, S Srivastava, D Dahliah, BAD Williamson, ... npj Computational Materials 9 (1), 72, 2023 | 25 | 2023 |
| Pawpyseed: Perturbation-extrapolation band shifting corrections for point defect calculations K Bystrom, D Broberg, S Dwaraknath, KA Persson, M Asta arXiv preprint arXiv:1904.11572, 2019 | 17 | 2019 |
| Bistable amphoteric native defect model of perovskite photovoltaics W Walukiewicz, I Rey-Stolle, G Han, M Jaquez, D Broberg, W Xie, ... The Journal of Physical Chemistry Letters 9 (14), 3878-3885, 2018 | 17 | 2018 |
| Tuning the electronic structure of SrTiO3/SrFeO3− x superlattices via composition and vacancy control RF Berger, DP Broberg, JB Neaton APL Materials 2 (4), 2014 | 11 | 2014 |
| Getting more out of the wind: Extending betz's law to multiple turbines D Broberg, D Shah, S Drapcho, A Brockway arXiv preprint arXiv:1805.01938, 2018 | 3 | 2018 |
| Correction: Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput … H Zhu, G Hautier, U Aydemir, ZM Gibbs, G Li, S Bajaj, JH Pöhls, ... Journal of Materials Chemistry C 4 (19), 4331-4331, 2016 | 1 | 2016 |
| Charged point defect benchmark of Hybrid and GGA-PBE D Broberg Lawrence Berkeley National Lab.(LBNL), Berkeley, CA (United States), 2023 | | 2023 |
| Erratum: Computational and experimental investigation of TmAgTe2 and: XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput … H Zhu, G Hautier, U Aydemir, ZM Gibbs, G Li, S Bajaj, JH Pöhls, ... Journal of Materials Chemistry C 4 (19), 4331, 2016 | | 2016 |
| Tuning the electronic structure of (SrTiO3)n/(SrFeO3-x)m superlattices R Berger, D Broberg, C Adamo, S Sallis, N Quackenbush, L Piper, ... APS March Meeting Abstracts 2013, F17. 007, 2013 | | 2013 |
| Supplementary Material for “Understanding Thermoelectric Properties from High-Throughput Calculations: Trends, Insights, and Comparisons with Experiment” W Chen, JH Pöhls, G Hautier, D Broberg, S Bajaj, U Aydemir, ZM Gibbs, ... | | |