| New tolerance factor to predict the stability of perovskite oxides and halides CJ Bartel, C Sutton, BR Goldsmith, R Ouyang, CB Musgrave, ... Science advances 5 (2), eaav0693, 2019 | 1346 | 2019 |
| SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates R Ouyang, S Curtarolo, E Ahmetcik, M Scheffler, LM Ghiringhelli Physical Review Materials 2 (8), 083802, 2018 | 775 | 2018 |
| Atomistic theory of Ostwald ripening and disintegration of supported metal particles under reaction conditions R Ouyang, JX Liu, WX Li Journal of the American Chemical Society 135 (5), 1760-1771, 2013 | 474 | 2013 |
| Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO R Ouyang, E Ahmetcik, C Carbogno, M Scheffler, LM Ghiringhelli Journal of Physics: Materials 2 (2), 024002, 2019 | 190 | 2019 |
| Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence ZK Han, D Sarker, R Ouyang, Y Gao, SV Levchenko Nature Communications 12, 1833, 2021 | 161 | 2021 |
| Learning physical descriptors for materials science by compressed sensing LM Ghiringhelli, J Vybiral, E Ahmetcik, R Ouyang, SV Levchenko, C Draxl, ... New Journal of Physics 19, 023017, 2017 | 160 | 2017 |
| Global minimization of gold clusters by combining neural network potentials and the basin-hopping method R Ouyang, Y Xie, D Jiang Nanoscale 7 (36), 14817-14821, 2015 | 125 | 2015 |
| Data-driven discovery of formulas by symbolic regression S Sun, R Ouyang, B Zhang, TY Zhang MRS Bulletin 44 (7), 559-564, 2019 | 90 | 2019 |
| Exploiting ionic radii for rational design of halide perovskites R Ouyang Chemistry of Materials 32 (1), 595-604, 2019 | 87 | 2019 |
| CO-and NO-induced disintegration and redispersion of three-way catalysts rhodium, palladium, and platinum: an ab initio thermodynamics study BR Goldsmith, ED Sanderson, R Ouyang, WX Li The Journal of Physical Chemistry C 118 (18), 9588-9597, 2014 | 83 | 2014 |
| Understanding Selective Hydrogenation of α,β-Unsaturated Ketones to Unsaturated Alcohols on the Au25(SR)18 Cluster R Ouyang, D Jiang ACS Catalysis 5 (11), 6624-6629, 2015 | 72 | 2015 |
| Wall density-controlled thermal conductive and mechanical properties of three-dimensional vertically aligned boron nitride network-based polymeric composites F Jiang, N Song, R Ouyang, P Ding ACS Applied Materials & Interfaces 13 (6), 7556-7566, 2021 | 69 | 2021 |
| Theoretical study of the role of a metal–cation ensemble at the oxide–metal boundary on CO oxidation D Sun, XK Gu, R Ouyang, HY Su, Q Fu, X Bao, WX Li The Journal of Physical Chemistry C 116 (13), 7491-7498, 2012 | 69 | 2012 |
| The ligand effect on the isomer stability of Au 24 (SR) 20 clusters Q Tang, R Ouyang, Z Tian, D Jiang Nanoscale 7 (6), 2225-2229, 2015 | 64 | 2015 |
| Prediction and classification of formation energies of binary compounds by machine learning: an approach without crystal structure information Y Mao, H Yang, Y Sheng, J Wang, R Ouyang, C Ye, J Yang, W Zhang ACS omega 6 (22), 14533-14541, 2021 | 45 | 2021 |
| CO oxidation at the perimeters of an FeO/Pt (111) interface and how water promotes the activity: a first‐principles study XK Gu, R Ouyang, D Sun, HY Su, WX Li ChemSusChem 5 (5), 871-878, 2012 | 42 | 2012 |
| Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites G Cao, R Ouyang, LM Ghiringhelli, M Scheffler, H Liu, C Carbogno, ... Physical Review Materials 4 (3), 034204, 2020 | 41 | 2020 |
| Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on Au (111) J Yan, R Ouyang, PS Jensen, E Ascic, D Tanner, B Mao, J Zhang, C Tang, ... Journal of the American Chemical Society 136 (49), 17087-17094, 2014 | 37 | 2014 |
| Improving symbolic regression for predicting materials properties with iterative variable selection Z Guo, S Hu, ZK Han, R Ouyang Journal of Chemical Theory and Computation 18 (8), 4945-4951, 2022 | 31 | 2022 |
| Machine learning and structural design to optimize the flame retardancy of polymer nanocomposites with graphene oxide hydrogen bonded zinc hydroxystannate F Chen, J Wang, Z Guo, F Jiang, R Ouyang, P Ding ACS Applied Materials & Interfaces 13 (45), 53425-53438, 2021 | 31 | 2021 |
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
