| Lithium-assisted plastic deformation of silicon electrodes in lithium-ion batteries: a first-principles theoretical study K Zhao, WL Wang, J Gregoire, M Pharr, Z Suo, JJ Vlassak, E Kaxiras Nano letters 11 (7), 2962-2967, 2011 | 377 | 2011 |
| The 2019 materials by design roadmap K Alberi, MB Nardelli, A Zakutayev, L Mitas, S Curtarolo, A Jain, M Fornari, ... Journal of Physics D: Applied Physics 52 (1), 013001, 2018 | 345 | 2018 |
| Inverse design of solid-state materials via a continuous representation J Noh, J Kim, HS Stein, B Sanchez-Lengeling, JM Gregoire, ... Matter 1 (5), 1370-1384, 2019 | 326 | 2019 |
| The Evolution of the Polycrystalline Copper Surface, First to Cu(111) and Then to Cu(100), at a Fixed CO2RR Potential: A Study by Operando EC-STM YG Kim, JH Baricuatro, A Javier, JM Gregoire, MP Soriaga Langmuir 30 (50), 15053-15056, 2014 | 313 | 2014 |
| Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies ML Green, CL Choi, JR Hattrick-Simpers, AM Joshi, I Takeuchi, SC Barron, ... Applied Physics Reviews 4 (1), 2017 | 310 | 2017 |
| Electrochemical stability of metastable materials AK Singh, L Zhou, A Shinde, SK Suram, JH Montoya, D Winston, ... Chemistry of Materials 29 (23), 10159-10167, 2017 | 262 | 2017 |
| Autonomous experimentation systems for materials development: A community perspective E Stach, B DeCost, AG Kusne, J Hattrick-Simpers, KA Brown, KG Reyes, ... Matter 4 (9), 2702-2726, 2021 | 229 | 2021 |
| Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces H Li, S Kelly, D Guevarra, Z Wang, Y Wang, JA Haber, M Anand, ... Nature Catalysis 4 (6), 463-468, 2021 | 219 | 2021 |
| Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment Q Yan, J Yu, SK Suram, L Zhou, A Shinde, PF Newhouse, W Chen, G Li, ... Proceedings of the National Academy of Sciences 114 (12), 3040-3043, 2017 | 210 | 2017 |
| Progress and prospects for accelerating materials science with automated and autonomous workflows HS Stein, JM Gregoire Chemical science 10 (42), 9640-9649, 2019 | 199 | 2019 |
| Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis JA Haber, Y Cai, S Jung, C Xiang, S Mitrovic, J Jin, AT Bell, JM Gregoire Energy & Environmental Science 7 (2), 682-688, 2014 | 193 | 2014 |
| An Operando Investigation of (Ni–Fe–Co–Ce)Ox System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction M Favaro, WS Drisdell, MA Marcus, JM Gregoire, EJ Crumlin, JA Haber, ... Acs Catalysis 7 (2), 1248-1258, 2017 | 182 | 2017 |
| Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery AK Singh, JH Montoya, JM Gregoire, KA Persson Nature communications 10 (1), 443, 2019 | 173 | 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 117 (12), 6316-6322, 2020 | 165 | 2020 |
| High throughput light absorber discovery, part 1: an algorithm for automated tauc analysis SK Suram, PF Newhouse, JM Gregoire ACS combinatorial science 18 (11), 673-681, 2016 | 154 | 2016 |
| Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements JM Gregoire, C Xiang, X Liu, M Marcin, J Jin Review of Scientific Instruments 84 (2), 2013 | 143 | 2013 |
| Benchmarking the acceleration of materials discovery by sequential learning B Rohr, HS Stein, D Guevarra, Y Wang, JA Haber, M Aykol, SK Suram, ... Chemical science 11 (10), 2696-2706, 2020 | 130 | 2020 |
| Computational sustainability: Computing for a better world and a sustainable future C Gomes, T Dietterich, C Barrett, J Conrad, B Dilkina, S Ermon, F Fang, ... Communications of the ACM 62 (9), 56-65, 2019 | 124 | 2019 |
| Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ 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 8 (12), 10938-10948, 2018 | 121 | 2018 |
| Perspective: composition–structure–property mapping in high-throughput experiments: turning data into knowledge JR Hattrick-Simpers, JM Gregoire, AG Kusne APL Materials 4 (5), 2016 | 121 | 2016 |
Dan GuevarraResearch Engineer, Joint Center for Artificial Photosynthesis, California Institute of TechnologyE-mail confirmado em caltech.edu
