| Inverse Design of Solid-State Materials via a Continuous Representation J Noh, J Kim, HS Stein, B Sanchez-Lengeling, JM Gregoire, ... Matter, 2019 | 340 | 2019 |
| Rechargeable batteries of the future—the state of the art from a BATTERY 2030+ perspective M Fichtner, K Edström, E Ayerbe, M Berecibar, A Bhowmik, IE Castelli, ... Advanced Energy Materials 12 (17), 2102904, 2022 | 274 | 2022 |
| Progress and prospects for accelerating materials science with automated and autonomous workflows HS Stein, JM Gregoire Chemical Science, 2019 | 209 | 2019 |
| High-throughput, combinatorial synthesis of multimetallic nanoclusters Y Yao, Z Huang, T Li, H Wang, Y Liu, HS Stein, Y Mao, J Gao, M Jiao, ... Proceedings of the National Academy of Sciences, 2020 | 171 | 2020 |
| A roadmap for transforming research to invent the batteries of the future designed within the european large scale research initiative battery 2030+ J Amici, P Asinari, E Ayerbe, P Barboux, P Bayle‐Guillemaud, RJ Behm, ... Advanced energy materials 12 (17), 2102785, 2022 | 144 | 2022 |
| Benchmarking the Acceleration of Materials Discovery by Sequential Learning B Rohr, H Stein, D Guevarra, Y Wang, J Haber, M Aykol, S Suram, ... chemrxiv, 10.26434/chemrxiv.113036, 2019 | 136 | 2019 |
| Rutile alloys in the Mn-Sb-O system stabilize Mn+3 to enable oxygen evolution in strong acid L Zhou, A Shinde, JH Montoya, A Singh, S Gul, J Yano, Y Ye, EJ Crumlin, ... ACS Catalysis, 10.1021/acscatal.8b02689, 2018 | 127 | 2018 |
| Machine learning of optical properties of materials - predicting spectra from images and images from spectra HS Stein, D Guevarra, PF Newhouse, E Soedarmadji, JM Gregoire Chemical Science, 2018 | 117 | 2018 |
| In‐Situ Electrochemical Electron Microscopy Study of Oxygen Evolution Activity of Doped Manganite Perovskites S Raabe, D Mierwaldt, J Ciston, M Uijttewaal, H Stein, J Hoffmann, Y Zhu, ... Advanced Functional Materials, 2012 | 100 | 2012 |
| High‐throughput experimentation and computational freeway lanes for accelerated battery electrolyte and interface development research A Benayad, D Diddens, A Heuer, AN Krishnamoorthy, M Maiti, FL Cras, ... Advanced Energy Materials 12 (17), 2102678, 2022 | 92 | 2022 |
| Accelerated atomic-scale exploration of phase evolution in compositionally complex materials YJ Li, A Savan, A Kostka, HS Stein, A Ludwig Materials Horizons 5 (1), 86-92, 2018 | 92 | 2018 |
| Analyzing machine learning models to accelerate generation of fundamental materials insights M Umehara, HS Stein, D Guevarra, PF Newhouse, DA Boyd, JM Gregoire npj Computational Materials 5, 34, 2019 | 70 | 2019 |
| Enabling modular autonomous feedback‐loops in materials science through hierarchical experimental laboratory automation and orchestration F Rahmanian, J Flowers, D Guevarra, M Richter, M Fichtner, P Donnely, ... Advanced Materials Interfaces 9 (8), 2101987, 2022 | 56 | 2022 |
| Tracking materials science data lineage to manage millions of materials experiments and analyses E Soedarmadji, HS Stein, SK Suram, D Guevarra, JM Gregoire npj Coputational Materials 5, 79, 2019 | 56 | 2019 |
| Correlating Oxygen Evolution Catalysts Activity and Electronic Structure by a High-Throughput Investigation of Ni1-y-zFeyCrzOx C Schwanke, HS Stein, L Xi, K Sliozberg, W Schuhmann, A Ludwig, ... Scientific Reports 7, 44192, 2017 | 47 | 2017 |
| Implications of the BATTERY 2030+ AI‐assisted toolkit on future low‐TRL battery discoveries and chemistries A Bhowmik, M Berecibar, M Casas‐Cabanas, G Csanyi, R Dominko, ... Advanced Energy Materials 12 (17), 2102698, 2022 | 46 | 2022 |
| Fe–Cr–Al containing oxide semiconductors as potential solar water-splitting materials K Sliozberg, HS Stein, C Khare, BA Parkinson, A Ludwig, W Schuhmann ACS applied materials & interfaces 7 (8), 4883-4889, 2015 | 43 | 2015 |
| Combinatorial screening of Pd-based quaternary electrocatalysts for oxygen reduction reaction in alkaline media J Li, HS Stein, K Sliozberg, J Liu, Y Liu, G Sertic, E Scanley, A Ludwig, ... Journal of Materials Chemistry A 5, 67-72, 2016 | 38 | 2016 |
| Data Management Plans: the Importance of Data Management in the BIG‐MAP Project IE Castelli, DJ Arismendi‐Arrieta, A Bhowmik, I Cekic‐Laskovic, S Clark, ... Batteries & Supercaps 4 (12), 1803-1812, 2021 | 36 | 2021 |
| A structure zone diagram obtained by simultaneous deposition on a novel step heater: A case study for Cu2O thin films H Stein, D Naujoks, D Grochla, C Khare, R Gutkowski, S Grützke, ... Phys. Status Solidi A 212 (12), 2798–2804, 2015 | 35 | 2015 |
John M. GregoireCaltechAdresse e-mail validée de caltech.edu