| Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 μm WTS Cole, JD Farrell, DJ Wales, RJ Saykally Science 352 (6290), 1194-1197, 2016 | 85 | 2016 |
| Benchmarks for characterization of minima, transition states, and pathways in atomic, molecular, and condensed matter systems ST Chill, J Stevenson, V Ruehle, C Shang, P Xiao, JD Farrell, DJ Wales, ... Journal of chemical theory and computation 10 (12), 5476-5482, 2014 | 53 | 2014 |
| Structures and energy landscapes of hydrated sulfate clusters LC Smeeton, JD Farrell, MT Oakley, DJ Wales, RL Johnston Journal of Chemical Theory and Computation 11 (5), 2377-2384, 2015 | 37 | 2015 |
| Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles JD Farrell, C Lines, JJ Shepherd, D Chakrabarti, MA Miller, DJ Wales Soft Matter 9 (22), 5407-5416, 2013 | 37 | 2013 |
| Polymorphism and Oxide Ion Migration Pathways in Fluorite-Type Bismuth Vanadate, Bi46V8O89 X Kuang, JL Payne, JD Farrell, MR Johnson, IR Evans Chemistry of Materials 24 (11), 2162-2167, 2012 | 35 | 2012 |
| A novel 3-D bio-microfluidic system mimicking in vivo heterogeneous tumour microstructures reveals complex tumour–stroma interactions Q Fan, R Liu, Y Jiao, C Tian, JD Farrell, W Diao, X Wang, F Zhang, ... Lab on a Chip 17 (16), 2852-2860, 2017 | 26 | 2017 |
| Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems VK De Souza, JD Stevenson, SP Niblett, JD Farrell, DJ Wales The Journal of Chemical Physics 146 (12), 124103, 2017 | 24 | 2017 |
| A stress tensor eigenvector projection space for the (H2O) 5 potential energy surface T Xu, J Farrell, R Momen, A Azizi, SR Kirk, S Jenkins, DJ Wales Chemical Physics Letters 667, 25-31, 2017 | 21 | 2017 |
| Tunable low loss 1D surface plasmons in InAs nanowires Y Zhou, R Chen, J Wang, Y Huang, M Li, Y Xing, J Duan, J Chen, ... Advanced Materials 30 (35), 1802551, 2018 | 20 | 2018 |
| Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts CM Widdifield, JD Farrell, JC Cole, JAK Howard, P Hodgkinson Chemical science 11 (11), 2987-2992, 2020 | 19 | 2020 |
| Spontaneous domain formation in spherically confined elastic filaments T Curk, JD Farrell, J Dobnikar, R Podgornik Physical review letters 123 (4), 047801, 2019 | 19 | 2019 |
| Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub The Journal of Chemical Physics 141 (18), 18C525, 2014 | 16 | 2014 |
| Computational design of probes to detect bacterial genomes by multivalent binding T Curk, CA Brackley, JD Farrell, Z Xing, D Joshi, S Direito, U Bren, ... Proceedings of the National Academy of Sciences 117 (16), 8719-8726, 2020 | 14 | 2020 |
| Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation WTS Cole, JD Farrell, AA Sheikh, Ö Yönder, RS Fellers, MR Viant, ... The Journal of Chemical Physics 148 (9), 094301, 2018 | 11 | 2018 |
| The mechanism of oxide ion conductivity in bismuth rhenium oxide, Bi28Re2O49 JL Payne, JD Farrell, AM Linsell, MR Johnson, IR Evans Solid State Ionics 244, 35-39, 2013 | 11 | 2013 |
| QTAIM and stress tensor interpretation of the (H2O)5 potential energy surface T Xu, J Farrell, Y Xu, R Momen, SR Kirk, S Jenkins, DJ Wales Journal of Computational Chemistry 37 (31), 2712-2721, 2016 | 9 | 2016 |
| Terahertz VRT spectroscopy of the water hexamer-h12 cage: dramatic libration-induced enhancement of hydrogen bond tunneling dynamics WTS Cole, O Yönder, AA Sheikh, RS Fellers, MR Viant, RJ Saykally, ... The Journal of Physical Chemistry A 122 (37), 7421-7426, 2018 | 7 | 2018 |
| Clusters of coarse-grained water molecules JD Farrell, DJ Wales The Journal of Physical Chemistry A 118 (35), 7338-7348, 2014 | 7 | 2014 |
| Preorganized Internal Electric Field Powers Catalysis in the Active Site of Uracil-DNA Glycosylase W Diao, S Yan, JD Farrell, B Wang, F Ye, Z Wang ACS Catalysis 12 (20), 12488-12499, 2022 | 1 | 2022 |
| Role of genome topology in the stability of viral capsids JD Farrell, J Dobnikar, R Podgornik Physical Review Research 5 (1), L012040, 2023 | | 2023 |
