| Electronic structure modeling of metal–organic frameworks JL Mancuso, AM Mroz, KN Le, CH Hendon Chemical reviews 120 (16), 8641-8715, 2020 | 232 | 2020 |
| Nucleolar stress induction by oxaliplatin and derivatives EC Sutton, CE McDevitt, JY Prochnau, MV Yglesias, AM Mroz, MC Yang, ... Journal of the American Chemical Society 141 (46), 18411-18415, 2019 | 57 | 2019 |
| Metal-free perovskites for non linear optical materials TW Kasel, Z Deng, AM Mroz, CH Hendon, KT Butler, P Canepa Chemical Science 10 (35), 8187-8194, 2019 | 53 | 2019 |
| Porous liquids–the future is looking emptier BD Egleston, A Mroz, KE Jelfs, RL Greenaway Chemical science 13 (18), 5042-5054, 2022 | 49 | 2022 |
| Experimental and theoretical investigation of overall energy deposition in surface-induced unfolding of protein ions MT Donor, AM Mroz, JS Prell Chemical Science 10 (14), 4097-4106, 2019 | 45 | 2019 |
| Into the unknown: how computation can help explore uncharted material space AM Mroz, V Posligua, A Tarzia, EH Wolpert, KE Jelfs Journal of the American Chemical Society 144 (41), 18730-18743, 2022 | 30 | 2022 |
| Monofunctional platinum (II) compounds and nucleolar stress: is phenanthriplatin unique? CE McDevitt, MV Yglesias, AM Mroz, EC Sutton, MC Yang, CH Hendon, ... JBIC Journal of Biological Inorganic Chemistry 24, 899-908, 2019 | 24 | 2019 |
| From N-to p-Type Material: Effect of Metal Ion on Charge Transport in Metal–Organic Materials S Yoon, AA Talin, V Stavila, AM Mroz, TD Bennett, Y He, DA Keen, ... ACS Applied Materials & Interfaces 13 (44), 52055-52062, 2021 | 13 | 2021 |
| An electric field-based approach for quantifying effective volumes and radii of chemically affected space AM Mroz, AM Davenport, J Sterling, J Davis, CH Hendon Chemical Science 13 (22), 6558-6566, 2022 | 9 | 2022 |
| Influence of Nanoarchitecture on Charge Donation and the Electrical-Transport Properties in [(SnSe)1+δ][TiSe2]q Heterostructures DM Hamann, D Bardgett, SR Bauers, TW Kasel, AM Mroz, CH Hendon, ... Chemistry of Materials 32 (13), 5802-5813, 2020 | 8 | 2020 |
| Post-synthetic modification of ionic liquids using ligand-exchange and redox coordination chemistry MA LeRoy, AM Mroz, JL Mancuso, A Miller, A Van Cleve, C Check, ... Journal of Materials Chemistry A 8 (43), 22674-22685, 2020 | 8 | 2020 |
| Identification of a metastable uranium metal–organic framework isomer through non-equilibrium synthesis SL Hanna, TT Debela, AM Mroz, ZH Syed, KO Kirlikovali, CH Hendon, ... Chemical Science 13 (44), 13032-13039, 2022 | 6 | 2022 |
| Computational workflow for steric assessment using the electric field-derived size AM Mroz, L Turcani, KE Jelfs Electronic Structure 5 (4), 045004, 2023 | 2 | 2023 |
| Deep generative design of porous organic cages via a variational autoencoder J Zhou, A Mroz, KE Jelfs Digital Discovery 2 (6), 1925-1936, 2023 | 2 | 2023 |
| Discrete and mixed-variable experimental design with surrogate-based approach M Zhu, A Mroz, L Gui, KE Jelfs, A Bemporad, EA del Río Chanona, ... Digital Discovery 3 (12), 2589-2606, 2024 | 1 | 2024 |
| Construction of an organic cage-based porous ionic liquid using an aminal tying strategy A Kai, A Mroz, K Jelfs, A Cooper, M Little, R Greenaway | | 2025 |
| Discovering structure–property correlations: general discussion AS Anker, A Aspuru-Guzik, CB Mahmoud, S Bennett, KR Briling, ... Faraday Discussions 256, 373-412, 2025 | | 2025 |
| PolyCL: contrastive learning for polymer representation learning via explicit and implicit augmentations J Zhou, Y Yang, AM Mroz, KE Jelfs Digital Discovery 4 (1), 149-160, 2025 | | 2025 |
| Web-BO: towards increased accessibility of Bayesian optimisation (BO) for chemistry AM Mroz, PN Toka, EA del Río Chanona, KE Jelfs Faraday Discussions 256, 221-234, 2025 | | 2025 |
| Applying Multi-Fidelity Bayesian Optimization in Chemistry: Open Challenges and Major Considerations E Judge, M Azzouzi, AM Mroz, ADR Chanona, KE Jelfs arXiv preprint arXiv:2409.07190, 2024 | | 2024 |
