| First-principles study, fabrication and characterization of (Zr0. 25Nb0. 25Ti0. 25V0. 25) C high-entropy ceramics B Ye, T Wen, MC Nguyen, L Hao, CZ Wang, Y Chu Acta Materialia 170, 15-23, 2019 | 360 | 2019 |
| On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets AG Kusne, T Gao, A Mehta, L Ke, MC Nguyen, KM Ho, V Antropov, ... Scientific reports 4, 6367, 2014 | 300 | 2014 |
| An adaptive genetic algorithm for crystal structure prediction SQ Wu, M Ji, CZ Wang, MC Nguyen, X Zhao, K Umemoto, ... Journal of Physics: Condensed Matter 26 (3), 035402, 2013 | 208 | 2013 |
| Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm X Zhao, MC Nguyen, WY Zhang, CZ Wang, MJ Kramer, DJ Sellmyer, ... Physical review letters 112 (4), 045502, 2014 | 128 | 2014 |
| New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials: <?format ?> and MC Nguyen, JH Choi, X Zhao, CZ Wang, Z Zhang, KM Ho Physical review letters 111 (16), 165502, 2013 | 123 | 2013 |
| Ab initio study of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage H Lee, WI Choi, MC Nguyen, MH Cha, E Moon, J Ihm Physical Review B—Condensed Matter and Materials Physics 76 (19), 195110, 2007 | 117 | 2007 |
| Thermophysical and mechanical properties of novel high‐entropy metal nitride‐carbides T Wen, B Ye, MC Nguyen, M Ma, Y Chu Journal of the American Ceramic Society 103 (11), 6475-6489, 2020 | 88 | 2020 |
| Development of interatomic potentials appropriate for simulation of devitrification of Al90Sm10 alloy MI Mendelev, F Zhang, Z Ye, Y Sun, MC Nguyen, SR Wilson, CZ Wang, ... Modelling and Simulation in Materials Science and Engineering 23 (4), 045013, 2015 | 80 | 2015 |
| Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in under Pressure V Taufour, US Kaluarachchi, R Khasanov, MC Nguyen, Z Guguchia, ... Physical review letters 117 (3), 037207, 2016 | 67 | 2016 |
| Elastic and electronic tuning of magnetoresistance in MoTe2 J Yang, J Colen, J Liu, MC Nguyen, G Chern, D Louca Science advances 3 (12), eaao4949, 2017 | 58 | 2017 |
| Role of Surface Stress on the Reactivity of Anatase TiO2(001) Y Shi, H Sun, WA Saidi, MC Nguyen, CZ Wang, K Ho, J Yang, J Zhao The Journal of Physical Chemistry Letters 8 (8), 1764-1771, 2017 | 46 | 2017 |
| Hydrogen storage in Ca-decorated, B-substituted metal organic framework X Zou, MH Cha, S Kim, MC Nguyen, G Zhou, W Duan, J Ihm international journal of hydrogen energy 35 (1), 198-203, 2010 | 42 | 2010 |
| Interface structure prediction from first-principles X Zhao, Q Shu, MC Nguyen, Y Wang, M Ji, H Xiang, KM Ho, X Gong, ... The Journal of Physical Chemistry C 118 (18), 9524-9530, 2014 | 41 | 2014 |
| Titanium-functional group complexes for high-capacity hydrogen storage materials H Lee, MC Nguyen, J Ihm Solid state communications 146 (9-10), 431-434, 2008 | 38 | 2008 |
| Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 cathode Z Ye, X Zhao, S Li, S Wu, P Wu, MC Nguyen, J Guo, J Mi, Z Gong, ZZ Zhu, ... Electrochimica Acta 212, 934-940, 2016 | 36 | 2016 |
| Structures of defects on anatase TiO 2 (001) surfaces Y Shi, H Sun, MC Nguyen, C Wang, K Ho, WA Saidi, J Zhao Nanoscale 9 (32), 11553-11565, 2017 | 34 | 2017 |
| Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme X Zhao, S Wu, X Lv, MC Nguyen, CZ Wang, Z Lin, ZZ Zhu, KM Ho Scientific reports 5, 15555, 2015 | 34 | 2015 |
| Iron-decorated, functionalized metal organic framework for high-capacity hydrogen storage: First-principles calculations MH Cha, MC Nguyen, YL Lee, J Im, J Ihm The Journal of Physical Chemistry C 114 (33), 14276-14280, 2010 | 32 | 2010 |
| Structures and stabilities of alkaline earth metal peroxides XO 2 (X= Ca, Be, Mg) studied by a genetic algorithm X Zhao, MC Nguyen, CZ Wang, KM Ho RSC advances 3 (44), 22135-22139, 2013 | 31 | 2013 |
| Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects MC Nguyen, Y Yao, CZ Wang, KM Ho, VP Antropov Journal of Physics: Condensed Matter 30 (19), 195801, 2018 | 30 | 2018 |
