| Zwitterion functionalized carbon nanotube/polyamide nanocomposite membranes for water desalination WF Chan, H Chen, A Surapathi, MG Taylor, X Shao, E Marand, ... Acs Nano 7 (6), 5308-5319, 2013 | 382 | 2013 |
| Molecular modifiers reveal a mechanism of pathological crystal growth inhibition J Chung, I Granja, MG Taylor, G Mpourmpakis, JR Asplin, JD Rimer Nature 536 (7617), 446-450, 2016 | 220 | 2016 |
| Computational discovery of transition-metal complexes: from high-throughput screening to machine learning A Nandy, C Duan, MG Taylor, F Liu, AH Steeves, HJ Kulik Chemical reviews 121 (16), 9927-10000, 2021 | 219 | 2021 |
| Molecular “surgery” on a 23-gold-atom nanoparticle Q Li, TY Luo, MG Taylor, S Wang, X Zhu, Y Song, G Mpourmpakis, ... Science advances 3 (5), e1603193, 2017 | 138 | 2017 |
| Thermodynamic stability of ligand-protected metal nanoclusters MG Taylor, G Mpourmpakis Nature Communications 8 (1), 15988, 2017 | 122 | 2017 |
| Unfolding adsorption on metal nanoparticles: Connecting stability with catalysis J Dean, MG Taylor, G Mpourmpakis Science advances 5 (9), eaax5101, 2019 | 94 | 2019 |
| Size-, shape-, and composition-dependent model for metal nanoparticle stability prediction Z Yan, MG Taylor, A Mascareno, G Mpourmpakis Nano letters 18 (4), 2696-2704, 2018 | 89 | 2018 |
| Reconstructing the surface of gold nanoclusters by cadmium doping Q Li, KJ Lambright, MG Taylor, K Kirschbaum, TY Luo, J Zhao, ... Journal of the American Chemical Society 139 (49), 17779-17782, 2017 | 89 | 2017 |
| Seeing is believing: Experimental spin states from machine learning model structure predictions MG Taylor, T Yang, S Lin, A Nandy, JP Janet, C Duan, HJ Kulik The Journal of Physical Chemistry A 124 (16), 3286-3299, 2020 | 69 | 2020 |
| Catalyst design based on morphology-and environment-dependent adsorption on metal nanoparticles MG Taylor, N Austin, CE Gounaris, G Mpourmpakis ACS Catalysis 5 (11), 6296-6301, 2015 | 60 | 2015 |
| Rethinking heterometal doping in ligand-protected metal nanoclusters MG Taylor, G Mpourmpakis The Journal of Physical Chemistry Letters 9 (23), 6773-6778, 2018 | 34 | 2018 |
| Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles C Duan, S Chen, MG Taylor, F Liu, HJ Kulik Chemical Science 12 (39), 13021-13036, 2021 | 32 | 2021 |
| Factors differentiating the effectiveness of polyprotic acids as inhibitors of calcium oxalate crystallization in kidney stone disease J Chung, MG Taylor, I Granja, JR Asplin, G Mpourmpakis, JD Rimer Crystal Growth & Design 18 (9), 5617-5627, 2018 | 32 | 2018 |
| Heterometal-Doped M23 (M = Au/Ag/Cd) Nanoclusters with Large Dipole Moments Y Li, MJ Cowan, M Zhou, MG Taylor, H Wang, Y Song, G Mpourmpakis, ... ACS nano 14 (6), 6599-6606, 2020 | 29 | 2020 |
| Site-selective substitution of gold atoms in the Au24 (SR) 20 nanocluster by silver Q Li, MG Taylor, K Kirschbaum, KJ Lambright, X Zhu, G Mpourmpakis, ... Journal of colloid and interface science 505, 1202-1207, 2017 | 29 | 2017 |
| Solvent manipulation of the pre-reduction metal–ligand complex and particle-ligand binding for controlled synthesis of Pd nanoparticles W Li, MG Taylor, D Bayerl, S Mozaffari, M Dixit, S Ivanov, S Seifert, B Lee, ... Nanoscale 13 (1), 206-217, 2021 | 26 | 2021 |
| Architector for high-throughput cross-periodic table 3D complex building MG Taylor, DJ Burrill, J Janssen, ER Batista, D Perez, P Yang nature communications 14 (1), 2786, 2023 | 25 | 2023 |
| Doping effect on the magnetism of thiolate-capped 25-atom alloy nanoclusters Y Li, S Biswas, TY Luo, R Juarez-Mosqueda, MG Taylor, G Mpourmpakis, ... Chemistry of Materials 32 (21), 9238-9244, 2020 | 25 | 2020 |
| Identification of optimally stable nanocluster geometries via mathematical optimization and density-functional theory NM Isenberg, MG Taylor, Z Yan, CL Hanselman, G Mpourmpakis, ... Molecular Systems Design & Engineering 5 (1), 232-244, 2020 | 16 | 2020 |
| Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe (II) spin crossover complexes V Vennelakanti, MG Taylor, A Nandy, C Duan, HJ Kulik The Journal of Chemical Physics 159 (2), 2023 | 14 | 2023 |
Giannis MpourmpakisProfessor of Chemical Engineering @NTUA, Adjunct Professor @PITTAdresse e-mail validée de chemeng.ntua.gr
