| Accelerated discovery of CO2 electrocatalysts using active machine learning M Zhong, K Tran, Y Min, C Wang, Z Wang, CT Dinh, P De Luna, Z Yu, ... Nature 581 (7807), 178-183, 2020 | 1084 | 2020 |
| Color-stable highly luminescent sky-blue perovskite light-emitting diodes J Xing, Y Zhao, M Askerka, LN Quan, X Gong, W Zhao, J Zhao, H Tan, ... Nature communications 9 (1), 3541, 2018 | 679 | 2018 |
| Spin control in reduced-dimensional chiral perovskites G Long, C Jiang, R Sabatini, Z Yang, M Wei, LN Quan, Q Liang, ... Nature Photonics 12 (9), 528-533, 2018 | 449 | 2018 |
| The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure … M Askerka, GW Brudvig, VS Batista Accounts of chemical research 50 (1), 41-48, 2017 | 215 | 2017 |
| Machine learning accelerates discovery of optimal colloidal quantum dot synthesis O Voznyy, L Levina, JZ Fan, M Askerka, A Jain, MJ Choi, O Ouellette, ... Acs Nano 13 (10), 11122-11128, 2019 | 149 | 2019 |
| Machine-learning-accelerated perovskite crystallization J Kirman, A Johnston, DA Kuntz, M Askerka, Y Gao, P Todorović, D Ma, ... Matter 2 (4), 938-947, 2020 | 122 | 2020 |
| Role of tensorial electronic friction in energy transfer at metal surfaces M Askerka, RJ Maurer, VS Batista, JC Tully Physical review letters 116 (21), 217601, 2016 | 113 | 2016 |
| Ab initio tensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation RJ Maurer, M Askerka, VS Batista, JC Tully Physical Review B 94 (11), 115432, 2016 | 106 | 2016 |
| S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction M Askerka, J Wang, DJ Vinyard, GW Brudvig, VS Batista Biochemistry 55 (7), 981-984, 2016 | 85 | 2016 |
| Analysis of the radiation-damage-free X-ray structure of photosystem II in light of EXAFS and QM/MM data M Askerka, DJ Vinyard, J Wang, GW Brudvig, VS Batista Biochemistry 54 (9), 1713-1716, 2015 | 85 | 2015 |
| NH3 Binding to the S2 State of the O2-Evolving Complex of Photosystem II: Analogue to H2O Binding during the S2 → S3 Transition M Askerka, DJ Vinyard, GW Brudvig, VS Batista Biochemistry 54 (38), 5783-5786, 2015 | 81 | 2015 |
| Crystallographic data support the carousel mechanism of water supply to the oxygen-evolving complex of photosystem II J Wang, M Askerka, GW Brudvig, VS Batista ACS energy letters 2 (10), 2299-2306, 2017 | 67 | 2017 |
| Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S1 to S2 Transition: A Combined XRD and QM/MM Study M Askerka, J Wang, GW Brudvig, VS Batista Biochemistry 53 (44), 6860-6862, 2014 | 62 | 2014 |
| Crystal site feature embedding enables exploration of large chemical spaces H Choubisa, M Askerka, K Ryczko, O Voznyy, K Mills, I Tamblyn, ... Matter 3 (2), 433-448, 2020 | 45 | 2020 |
| Fundamental role of oxygen stoichiometry in controlling the band gap and reactivity of cupric oxide nanosheets ZS Fishman, B Rudshteyn, Y He, B Liu, S Chaudhuri, M Askerka, ... Journal of the American Chemical Society 138 (34), 10978-10985, 2016 | 45 | 2016 |
| Energetics of the S2 State Spin Isomers of the Oxygen-Evolving Complex of Photosystem II DJ Vinyard, S Khan, M Askerka, VS Batista, GW Brudvig The Journal of Physical Chemistry B 121 (5), 1020-1025, 2017 | 44 | 2017 |
| Learning-in-templates enables accelerated discovery and synthesis of new stable double perovskites M Askerka, Z Li, M Lempen, Y Liu, A Johnston, MI Saidaminov, Z Zajacz, ... Journal of the American Chemical Society 141 (8), 3682-3690, 2019 | 43 | 2019 |
| Theoretical prediction of S–H bond rupture in methanethiol upon interaction with gold M Askerka, D Pichugina, N Kuz’menko, A Shestakov The Journal of Physical Chemistry A 116 (29), 7686-7693, 2012 | 42 | 2012 |
| Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds PS Lakkaraju, M Askerka, H Beyer, CT Ryan, T Dobbins, C Bennett, ... ChemCatChem 8 (22), 3453-3457, 2016 | 28 | 2016 |
| Relative stability of the S2 isomers of the oxygen evolving complex of photosystem II D Kaur, W Szejgis, J Mao, M Amin, KM Reiss, M Askerka, X Cai, ... Photosynthesis Research 141, 331-341, 2019 | 27 | 2019 |