Runhai Ouyang
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
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
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
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
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
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
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
Data-driven discovery of formulas by symbolic regression
S Sun, R Ouyang, B Zhang, TY Zhang
MRS Bulletin 44 (7), 559-564, 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
Exploiting ionic radii for rational design of halide perovskites
R Ouyang
Chemistry of Materials 32 (1), 595-604, 2019
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
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
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
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
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
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
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
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
First-principles study of the adsorption of Au atoms and Au and Au clusters on FeO/Pt(111)
R Ouyang, WX Li
Physical Review B—Condensed Matter and Materials Physics 84 (16), 165403, 2011
Ligand-conformation energy landscape of thiolate-protected gold nanoclusters
R Ouyang, D Jiang
The Journal of Physical Chemistry C 119 (37), 21555-21560, 2015
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Články 1–20