Using Computational Chemistry to Reveal Nature’s Blueprints for Single-Site Catalysis of C–H Activation A Nandy, H Adamji, DW Kastner, V Vennelakanti, A Nazemi, M Liu, ... ACS Catalysis 12 (15), 9281-9306, 2022 | 28 | 2022 |
Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis C Duan, A Nandy, H Adamji, Y Roman-Leshkov, HJ Kulik Journal of Chemical Theory and Computation 18 (7), 4282-4292, 2022 | 15 | 2022 |
Computational Discovery of Stable Metal–Organic Frameworks for Methane-to-Methanol Catalysis H Adamji, A Nandy, I Kevlishvili, Y Román-Leshkov, HJ Kulik Journal of the American Chemical Society 145 (26), 14365-14378, 2023 | 14 | 2023 |
Density functional theory analysis of the effect of structural configurations on the stability of GaAsBi compounds H Adamji, M Stevens, K Grossklaus, TE Vandervelde, P Deshlahra Computational Materials Science 173, 109401, 2020 | 2 | 2020 |
Dynamic Charge Distribution as a Key Driver of Catalytic Reactivity in an Artificial Metalloenzyme D Kastner, C Reinhardt, H Adamji, M Manetsch, Y Román-Leshkov, ... | | 2024 |
Insights into the catalytic promotion of propylene self-metathesis over silica-supported molybdenum oxide using substituted olefins R Zhu, H Adamji, Z Berkson, J Zhu, A Head, H Kulik, C Copéret, ... | | 2024 |
Large-scale comparison of Fe and Ru polyolefin C–H activation catalysts H Adamji, I Kevlishvili, A Nandy, Y Román-Leshkov, HJ Kulik Journal of Catalysis 431, 115361, 2024 | | 2024 |
Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes I Kevlishvili, RGS Michel, AG Garrison, JW Toney, H Adamji, H Jia, ... Faraday Discussions, 2024 | | 2024 |
Ru or Fe? Understanding Trends in C–H Activation Catalysis with High-Throughput Screening H Adamji, I Kevlishvili, A Nandy, Y Román-Leshkov, H Kulik 2023 AIChE Annual Meeting, 2023 | | 2023 |
Discovering Stable and Active Catalysts with Machine Learning and Community Knowledge H Kulik, A Nandy, H Adamji The 28th North American Catalysis Society Meeting, 2023 | | 2023 |
Elucidating the Active Sites for Selective Oxidation of Methane to Methanol over Cu-SSZ-13 Zeolite J Zhu, R Zhu, H Adamji, Y Román-Leshkov The 28th North American Catalysis Society Meeting, 2023 | | 2023 |
Computationally Guided Discovery of Stable Metal-Organic Frameworks That Are Promising Methane-to-Methanol Catalysts H Adamji, A Nandy, I Kevlishvili, Y Román-Leshkov, HJ Kulik The 28th North American Catalysis Society Meeting, 2023 | | 2023 |
Insights into the Catalytic Promotion of Propylene Metathesis over Silica-Supported Molybdenum Oxide Using Substituted Olefins R Zhu, H Adamji, Z Berkson, J Zhu, A Head, HJ Kulik, C Copéret, ... The 28th North American Catalysis Society Meeting, 2023 | | 2023 |
Investigating the Genesis of Catalytic Promotion for Silica-Supported Molybdenum Oxide during Propylene Metathesis R Zhu, H Adamji, Z Berkson, J Zhu, A Head, H Kulik, C Copéret, Y Roman 2022 AIChE Annual Meeting, 2022 | | 2022 |
Accelerated and Scalable Synthesis of Mfu-4l in Flow S Han, S Bagi, S Kwon, H Adamji, M Dincă, Y Roman 2022 AIChE Annual Meeting, 2022 | | 2022 |