Mechanistic and multiscale aspects of thermo-catalytic CO2 conversion to C1 products MI Alam, R Cheula, G Moroni, L Nardi, M Maestri Catalysis Science & Technology 11 (20), 6601-6629, 2021 | 65 | 2021 |
Quo vadis multiscale modeling in reaction engineering?–A perspective GD Wehinger, M Ambrosetti, R Cheula, ZB Ding, M Isoz, B Kreitz, ... Chemical Engineering Research and Design 184, 39-58, 2022 | 53 | 2022 |
Modeling morphology and catalytic activity of nanoparticle ensembles under reaction conditions R Cheula, M Maestri, G Mpourmpakis Acs Catalysis 10 (11), 6149-6158, 2020 | 53 | 2020 |
Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling R Cheula, A Soon, M Maestri Catalysis Science & Technology 8 (14), 3493-3503, 2018 | 35 | 2018 |
Nature and identity of the active site via structure-dependent microkinetic modeling: An application to WGS and reverse WGS reactions on Rh R Cheula, M Maestri Catalysis Today 387, 159-171, 2022 | 16 | 2022 |
Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri Angewandte Chemie 133 (48), 25595-25600, 2021 | 13 | 2021 |
Role of Cu Oxide and Cu Adatoms in the Reactivity of CO2 on Cu(110) S Jensen, R Cheula, M Hedevang, M Andersen, JV Lauritsen Angewandte Chemie 136 (33), e202405554, 2024 | 3 | 2024 |
Unraveling the Effect of Dopants in Zirconia-Based Catalysts for CO2 Hydrogenation to Methanol R Cheula, TAMQ Tran, M Andersen ACS Catalysis 14 (17), 13126-13135, 2024 | 2 | 2024 |
Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis B Wander, J Musielewicz, R Cheula, JR Kitchin The Journal of Physical Chemistry C, 2024 | 1 | 2024 |
Investigating the Fitting Errors of Machine Learning Potentials on the Open Catalyst 2020 (OC20) Dataset KAH Abdelmaqsoud, M Shuaibi, A Kolluru, R Cheula, J Kitchin 2024 AIChE Annual Meeting, 2024 | | 2024 |
Microkinetic Modeling and Design of Catalytic Materials with Fine-Tuned Machine-Learning Interatomic Potentials R Cheula, M Andersen, J Kitchin 2024 AIChE Annual Meeting, 2024 | | 2024 |
Mechanistic Insights into r-WGS Reaction on Rh and Pt Via a Combined Experimental and Structure-Dependent Microkinetic Analysis G Spanò, L Nardi, G Contaldo, R Cheula, C Negri, M Maestri 2024 AIChE Annual Meeting, 2024 | | 2024 |
Investigating the error imbalance of large-scale machine learning potentials in catalysis K Abdelmaqsoud, M Shuaibi, A Kolluru, R Cheula, JR Kitchin Catalysis Science & Technology 14 (20), 5899-5908, 2024 | | 2024 |
Modeling and Design of Single-Atom Alloy Catalysts for CO2 Hydrogenation Reactions M Andersen, R Cheula 2023 AIChE Annual Meeting, 2023 | | 2023 |
Cross-Talking of Ni Metal Nanoparticle Facets Explains the Structuresensitivity of the CO2 Methanation Reaction M Ferri, R Cheula, M Monai, BM Weckhuysen, M Maestri The 28th North American Catalysis Society Meeting, 2023 | | 2023 |
Crystallization of NiO Exposing High-Index Facets By Molten Salt Synthesis MD Susman, HN Pham, X Zhao, R Cheula, D West, S Chinta, M Maestri, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
Oxidative Coupling of Methane: Developing Structure-Property Relationships for High-Performance Metal Oxide Catalysts MD Susman, M Ferri, R Cheula, HN Pham, A Datye, S Chinta, D West, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
Explaining the Shape Selectivity of High-Index NiO Particles Produced By Molten Salts Synthesis R Cheula, MD Susman, D West, S Chinta, JD Rimer, M Maestri The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
Inside Cover: Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting (Angew. Chem. Int. Ed. 48/2021) R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri Angewandte Chemie International Edition 60 (48), 25166-25166, 2021 | | 2021 |
Innentitelbild: Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting (Angew. Chem. 48/2021). R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri Angewandte Chemie 133 (48), 2021 | | 2021 |