| The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 2020 | 134 | 2020 |
| Perspective: Methods for large-scale density functional calculations on metallic systems J Aarons, M Sarwar, D Thompsett, CK Skylaris The Journal of chemical physics 145 (22), 2016 | 82 | 2016 |
| Nanoscale active sites for the hydrogen evolution reaction on low carbon steel LC Yule, V Shkirskiy, J Aarons, G West, CL Bentley, BA Shollock, ... The Journal of Physical Chemistry C 123 (39), 24146-24155, 2019 | 63 | 2019 |
| Predicting the oxygen-binding properties of platinum nanoparticle ensembles by combining high-precision electron microscopy and density functional theory J Aarons, L Jones, A Varambhia, KE MacArthur, D Ozkaya, M Sarwar, ... Nano letters 17 (7), 4003-4012, 2017 | 60 | 2017 |
| Nanoscale electrochemical visualization of grain-dependent anodic iron dissolution from low carbon steel LC Yule, V Shkirskiy, J Aarons, G West, BA Shollock, CL Bentley, ... Electrochimica Acta 332, 135267, 2020 | 58 | 2020 |
| Nanoscale scanning electrochemical cell microscopy and correlative surface structural analysis to map anodic and cathodic reactions on polycrystalline Zn in acid media V Shkirskiy, LC Yule, E Daviddi, CL Bentley, J Aarons, G West, PR Unwin Journal of The Electrochemical Society 167 (4), 041507, 2020 | 56 | 2020 |
| Effect of graphene support on large Pt nanoparticles LG Verga, J Aarons, M Sarwar, D Thompsett, AE Russell, CK Skylaris Physical Chemistry Chemical Physics 18 (48), 32713-32722, 2016 | 43 | 2016 |
| DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects LG Verga, J Aarons, M Sarwar, D Thompsett, AE Russell, CK Skylaris Faraday discussions 208, 497-522, 2018 | 33 | 2018 |
| Electroreduction of peroxodisulfate: A review of a complicated reaction SA Shafiee, J Aarons, HH Hamzah Journal of The Electrochemical Society 165 (13), H785, 2018 | 25 | 2018 |
| Anchoring strategy for highly active copper nanoclusters in hydrogenation of renewable biomass-derived compounds F Lan, J Aarons, Y Shu, X Zhou, H Jiao, H Wang, Q Guan, W Li Applied Catalysis B: Environmental 299, 120651, 2021 | 22 | 2021 |
| Electronic annealing Fermi operator expansion for DFT calculations on metallic systems J Aarons, CK Skylaris The Journal of chemical physics 148 (7), 2018 | 19 | 2018 |
| Ideal versus real: simulated annealing of experimentally derived and geometric platinum nanoparticles T Ellaby, J Aarons, A Varambhia, L Jones, P Nellist, D Ozkaya, M Sarwar, ... Journal of Physics: Condensed Matter 30 (15), 155301, 2018 | 17 | 2018 |
| Atom-projected and angular momentum resolved density of states in the ONETEP code J Aarons, LG Verga, NDM Hine, CK Skylaris Electronic Structure 1 (3), 035002, 2019 | 15 | 2019 |
| Polysulfide-inhibiting, thermotolerant and nonflammable separators enabled by DNA co-assembled CNT/MXene networks for stable high-safety Li–S batteries Y Li, M Li, YC Zhu, S Song, SN Li, J Aarons, LC Tang, J Bae Composites Part B: Engineering 251, 110465, 2023 | 11 | 2023 |
| Directly converting cellulose into high yield sorbitol by tuning the electron structure of Ru2P anchored in agricultural straw biochar M Qiu, J Zheng, Y Yao, L Liu, X Zhou, H Jiao, J Aarons, K Zhang, Q Guan, ... Journal of Cleaner Production 362, 132364, 2022 | 7 | 2022 |
| High spin polarized Fe 2 cluster combined with vicinal nonmetallic sites for catalytic ammonia synthesis from a theoretical perspective H Zhu, J Aarons, Q Peng Inorganic Chemistry Frontiers 8 (24), 5299-5311, 2021 | 5 | 2021 |
| A new CASTEP and onetep geometry optimiser J Aarons | 2 | 2011 |
| Quantum Dynamics of Hydrogen on Ruthenium J Aarons University of York, 2013 | 1 | 2013 |
| Cluster expansion Monte Carlo study of indium–aluminum segregation and homogenization in CuInSe 2–CuAlSe 2 pseudobinary alloys HT Xue, XD Yu, J Aarons, FL Tang, XF Lu, JQ Ren Physical Chemistry Chemical Physics 22 (26), 14694-14703, 2020 | | 2020 |
| Linear scaling excited state forces within the linear-response time dependent DFT formalism: Method and applications J Aarons, T Zuehlsdorff, N Hine ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Misbah SarwarJohnson Matthey Technology CentreVerified email at matthey.com
