| A machine learning approach to zeolite synthesis enabled by automatic literature data extraction Z Jensen, E Kim, S Kwon, TZH Gani, Y Román-Leshkov, M Moliner, ... ACS central science 5 (5), 892-899, 2019 | 248 | 2019 |
| molSimplify: A toolkit for automating discovery in inorganic chemistry EI Ioannidis, TZH Gani, HJ Kulik Journal of computational chemistry 37 (22), 2106-2117, 2016 | 205 | 2016 |
| Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane to Methanol Conversion by FeIVO TZH Gani, HJ Kulik Acs Catalysis 8 (2), 975-986, 2018 | 160 | 2018 |
| Emerging Strategies for CO2 Photoreduction to CH4: From Experimental to Data‐Driven Design S Cheng, Z Sun, KH Lim, TZH Gani, T Zhang, Y Wang, H Yin, K Liu, ... Advanced Energy Materials 12 (20), 2200389, 2022 | 157 | 2022 |
| Where does the density localize? Convergent behavior for global hybrids, range separation, and DFT+ U TZH Gani, HJ Kulik Journal of chemical theory and computation 12 (12), 5931-5945, 2016 | 79 | 2016 |
| Bi-functional CeO2 coated NiCo-MgAl core-shell catalyst with high activity and resistance to coke and H2S poisoning in methane dry reforming S Das, KH Lim, TZH Gani, S Aksari, S Kawi Applied Catalysis B: Environmental 323, 122141, 2023 | 61 | 2023 |
| Leveraging cheminformatics strategies for inorganic discovery: application to redox potential design JP Janet, TZH Gani, AH Steeves, EI Ioannidis, HJ Kulik Industrial & Engineering Chemistry Research 56 (17), 4898-4910, 2017 | 61 | 2017 |
| Unifying exchange sensitivity in transition-metal spin-state ordering and catalysis through bond valence metrics TZH Gani, HJ Kulik Journal of Chemical Theory and Computation 13 (11), 5443-5457, 2017 | 49 | 2017 |
| Lignin-KMC: A toolkit for simulating lignin biosynthesis MJ Orella, TZH Gani, JV Vermaas, ML Stone, EM Anderson, GT Beckham, ... ACS Sustainable Chemistry & Engineering 7 (22), 18313-18322, 2019 | 48 | 2019 |
| Enhancement of hollow Ni/CeO2-Co3O4 for CO2 methanation: From CO2 adsorption and activation by synergistic effects F Hu, C Jin, R Wu, C Li, G Song, TZH Gani, KH Lim, W Guo, T Wang, ... Chemical Engineering Journal 461, 142108, 2023 | 45 | 2023 |
| Computational evidence for kinetically controlled radical coupling during lignification TZH Gani, MJ Orella, EM Anderson, ML Stone, FR Brushett, GT Beckham, ... ACS Sustainable Chemistry & Engineering 7 (15), 13270-13277, 2019 | 32 | 2019 |
| Computational discovery of hydrogen bond design rules for electrochemical ion separation TZH Gani, EI Ioannidis, HJ Kulik Chemistry of Materials 28 (17), 6207-6218, 2016 | 25 | 2016 |
| Promoting active site renewal in heterogeneous olefin metathesis catalysts TZH Gani, ZJ Berkson, R Zhu, JH Kang, JR Di Iorio, KW Chan, DF Consoli, ... Nature 617 (7961), 524-528, 2023 | 24 | 2023 |
| Impacts of catalyst and process parameters on Ni-catalyzed methane dry reforming via interpretable machine learning K Vellayappan, Y Yue, KH Lim, K Cao, JY Tan, S Cheng, T Wang, ... Applied Catalysis B: Environmental 330, 122593, 2023 | 22 | 2023 |
| Opportunities in the design of metal@ oxide core-shell nanoparticles PCD Mendes, Y Song, W Ma, TZH Gani, KH Lim, S Kawi, SM Kozlov Advances in Physics: X 8 (1), 2175623, 2023 | 20 | 2023 |
| Ni nanoparticles supported on Al2O3+ La2O3 yolk-shell catalyst for photo-assisted thermal decomposition of methane H Bian, TZH Gani, J Liu, E Hondo, KH Lim, T Zhang, D Li, SF Liu, J Yan, ... Journal of Colloid and Interface Science 643, 151-161, 2023 | 14 | 2023 |
| Unveiling the roles of precursor structure and controlled sintering on Ni-phyllosilicate-derived catalysts for low-temperature methane decomposition E Hondo, TZH Gani, M Kosari, S Xi, Bella, J Ashok, JY Tan, T Wang, ... ACS Sustainable Chemistry & Engineering 11 (24), 8786-8799, 2023 | 11 | 2023 |
| Boundary Conditions for Promotion versus Poisoning in Copper–Gallium-Based CO2-to-Methanol Hydrogenation Catalysts JL Alfke, M Tejeda-Serrano, S Phadke, A Tereshchenko, TZH Gani, ... ACS Catalysis 14 (12), 9166-9175, 2024 | 6 | 2024 |
| Catalytic Performance of Ni Catalysts Supported on α-, β-, and γ-Ga2O3 Polymorphs for CO2 Hydrogenation to Methanol Y Pei, TZH Gani, Z Chen, X Su, Y Wang, Z Zhang, KH Lim, S Kawi Industrial & Engineering Chemistry Research 63 (17), 7915-7925, 2024 | 2 | 2024 |
| Understanding Surface Structures and Reactivity of Heterogeneous Olefin Metathesis Catalysts through Sensitivity-Enhanced Solid-State NMR Z Berkson, TZH Gani, R Zhu, Y Roman, C Copéret 2022 AIChE Annual Meeting, 2022 | | 2022 |
Heather J. KulikChemical Engineering and Chemistry, Massachusetts Institute of TechnologyVerificeret mail på mit.edu