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2026
Verification of thermovibrational control principles in fiber dispersions
Manayil Santhosh, B. & Lappa, M., 5 Jun 2026, In: Physics of Fluids. 38, 6, 17 p., 063314.Research output: Contribution to journal › Article › peer-review
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Coherent load profile synthesis with conditional diffusion for LV distribution network scenario generation
Brash, A., Lu, J., Stephen, B., Brown, B., Atkinson, R., Michie, C. & Tachtatzis, C., 1 Jun 2026, In: Sustainable Energy, Grids and Networks. 46, 15 p., 102264.Research output: Contribution to journal › Article › peer-review
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On the reactions of (hetero)aryl and vinyl triflates with [Ni(COD)(dppf)]
McVeigh, N. C. C., Greaves, M. E., Munday, R. H., Ronson, T. O., Rice, S., Sproules, S. & Nelson, D. J., 19 May 2026, (E-pub ahead of print) In: Catalysis Science and Technology.Research output: Contribution to journal › Article › peer-review
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Interface-induced concentration enhancement in glycine solutions investigated using surface plasmon resonance spectroscopy and molecular dynamics simulations
Mackay, R., Mohammadpour, M., Paulose Nadappuram, B., Johnston, K., Sefcik, J. & Lau, K. H. A., 14 May 2026, In: The Journal of Physical Chemistry Letters. 17, 19, p. 5535–5540 6 p.Research output: Contribution to journal › Article › peer-review
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Unlocking the molecular-level solvent effect on cellulose hydrolysis to levulinic acid
Jiang, X., Liu, C., Wang, K., Zhang, Y., Cao, X., Zhang, X. & Jiang, J., 29 Apr 2026, In: Journal of Agricultural and Food Chemistry. 74, 16, p. 12856–12864 9 p.Research output: Contribution to journal › Article › peer-review
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Shape, confinement and inertia effects on the dynamics of a driven spheroid in a viscous fluid
Bhowmik, A., Stratford, K., Henrich, O. & Thampi, S. P., 22 Apr 2026, In: Soft Matter. 22, 15, p. 2856–2869 14 p.Research output: Contribution to journal › Article › peer-review
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Beyond uniform roughness: ship resistance with spatially non-uniform hull surface conditions
Han, S.-S., Lee, H.-W., Dai, S. & Terziev, M., 15 Apr 2026, In: Ocean Engineering. 352, Pt. 2, 21 p., 124462.Research output: Contribution to journal › Article › peer-review
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Three-dimensional computational homogenization of cracked composite materials using state-based peridynamics and MPI parallelization
Xia, W., Oterkus, E. & Oterkus, S., 15 Apr 2026, In: Composite Structures. 382, 17 p., 120085.Research output: Contribution to journal › Article › peer-review
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How alkali metal alkoxides initiate organic radical reactions
Tyerman, S., Clark, K. F., Stewart, A. J., Kolodziejczak, K., Robertson, C. M., Evans, L., Kennedy, A. R., Tuttle, T., Nelson, D. J. & Murphy, J. A., 4 Mar 2026, In: Journal of the American Chemical Society. 148, 8, p. 8970-8981 12 p.Research output: Contribution to journal › Article › peer-review
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Design of transient plasma photonic structure mirrors for high-power lasers using deep kernel Bayesian optimisation
Ivanov, S., Ersfeld, B., Dong, F. & Jaroszynski, D. A., 2 Feb 2026, In: Communications Physics. 9, 1, 13 p., 34.Research output: Contribution to journal › Article › peer-review
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Aircraft wake vortex encounters with residential structures
Bennie, S. & Fossati, M., 15 Jan 2026, In: Computers and Fluids. 304, 16 p., 106883.Research output: Contribution to journal › Article › peer-review
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Critical role of catalyst-dependent solvent effect for the conversion of xylan to furfural
Liu, T., Liu, C., Wang, K., Zhang, X., Zhang, L., Wu, Z., Qing, Y., Jiang, J. & Wu, Y., 14 Jan 2026, In: Journal of Agricultural and Food Chemistry. 74, 1, p. 1037-1045 9 p.Research output: Contribution to journal › Article › peer-review
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2025
Dynamic docking strategies for a bioinspired AUV
Xu, Y., Shi, W., Song, Y. & Jia, L., 31 Dec 2025, In: Engineering Applications of Computational Fluid Mechanics. 19, 1, 2557022.Research output: Contribution to journal › Article › peer-review
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Investigation of optimum loading condition for a barge based on hydroelastic analysis
Mursid, O., Oterkus, E. & Oterkus, S., 30 Dec 2025, In: Ocean Engineering. 342, Part 4, 17 p., 123162.Research output: Contribution to journal › Article › peer-review
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Computational modelling reveals novel insights into GnRH receptor activation and binding dynamics
Paspali, E., Ferro, V. A., Kubiak-Ossowska, K. & Mulheran, P. A., 27 Nov 2025, In: Scientific Reports. 15, 1, 42479.Research output: Contribution to journal › Article › peer-review
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Computer-aided development of bio-inspired routes to highly ordered green mesoporous silica
Stavert, T., Brambila, C., Patwardhan, S. V. & Jorge, M., 21 Nov 2025, In: Journal of Materials Chemistry. A . 13, 43, p. 37044-37062 19 p.Research output: Contribution to journal › Article › peer-review
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Nickel‐catalyzed P ‐arylation of HP(= O)(R/OR) 2 nucleophiles with (hetero)aryl chlorides enabled by DalPhos ligation
Cotnam, M. J., Redpath, T. K., Weetman, C. E., DeRoy, P. L., Nelson, D. J. & Stradiotto, M., 22 Oct 2025, In: Chemistry - A European Journal. 31, 59, 9 p., e02189.Research output: Contribution to journal › Article › peer-review
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A versatile molecular dynamics force field for modelling polyhydroxyalkanoate structure and barrier properties
Middleton, N., Wadkin-Snaith, D., Mulheran, P. & Johnston, K., 1 Sept 2025, In: Macromolecular Theory and Simulations. 34, 5, 14 p., e00048.Research output: Contribution to journal › Article › peer-review
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Automated descriptors for high-throughput screening of peptide self-assembly
Rajaram Baskaran, R. K., van Teijlingen, A. & Tuttle, T., 28 Aug 2025, In: Faraday Discussions. 260, p. 252-268 17 p.Research output: Contribution to journal › Article › peer-review
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Understanding the pH-responsive behaviour of alkylamine surfactants
Stavert, T. & Jorge, M., 1 Aug 2025, In: Journal of Molecular Liquids. 431, 9 p., 127656.Research output: Contribution to journal › Article › peer-review
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3-DOF motion response analysis of damaged ships in quartering waves
Hu, L., Yuan, Z., Liu, J., Guo, Y., Liu, W. & Terziev, M., Aug 2025, In: Applied Ocean Research. 161, 16 p., 104659.Research output: Contribution to journal › Article › peer-review
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Application of neural network potentials to modelling transition states
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 31 Jul 2025, In: Chemical Communications. 61, 63, p. 11810-11813 4 p.Research output: Contribution to journal › Article › peer-review
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Quantitative nanometrology of binary particle systems using fluorescence recovery after photobleaching: application to colloidal silica
Doveiko, D., Asciak, L., Stebbing, S., Shu, W., Kubiak-Ossowska, K., Birch, D. J. S. & Chen, Y., 29 Jul 2025, In: Langmuir. 41, 29, p. 19173-19182 10 p., 19173–19182.Research output: Contribution to journal › Article › peer-review
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Probing substrate binding and release events in iridium-catalysed hydrogen isotope exchange reactions
Timofeeva, D. S., Kerr, W. J., Lindsay, D. M. & Nelson, D. J., 23 Jul 2025, In: Chemical Science. 16, 29, p. 13532-13542 11 p.Research output: Contribution to journal › Article › peer-review
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Nanoparticles as adsorbents for hydrophobic molecules: exploring size, pH, and structural dependencies
Doveiko, D., Kubiak-Ossowska, K. & Chen, Y., 10 Jul 2025, In: Journal of Chemical Physics. 163, 2, 10 p., 024708 .Research output: Contribution to journal › Article › peer-review
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PIBM 1.0: An individual-based model for simulating phytoplankton acclimation, diversity, and evolution in the ocean
Sala, I. & Chen, B., 8 Jul 2025, In: Geoscientific Model Development. 18, 13, p. 4155-4182 28 p.Research output: Contribution to journal › Article › peer-review
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Unrevealing liquid metal Ga isolated Pt atom catalysts efficient hydrogenation capability of acid to alkanes
Long, F., Zhang, B., Cao, X., Zhang, X., Ying, H., Xu, J. & Zhu, C., 15 May 2025, In: Applied Catalysis B: Environment and Energy. 365, 124915.Research output: Contribution to journal › Article › peer-review
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Nitrile-tolerant iridium-catalysed hydrogen isotope exchange
Knight, N. M. L., Anderson, D. E., Mulrainey, P. T., Paterson, L. C., Lindsay, D. M., Tuttle, T. & Kerr, W. J., 4 Apr 2025, In: Chemistry - A European Journal. 31, 20, 7 p., e202500449.Research output: Contribution to journal › Article › peer-review
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Hull form optimisation to minimise the total resistance and dynamic responses of small fishing vessels
Iqbal, M., Terziev, M., Tezdogan, T. & Incecik, A., 30 Mar 2025, In: Ocean Engineering. 321, 16 p., 120357.Research output: Contribution to journal › Article › peer-review
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Binding energy calculations of anthracene and rhodamine 6G H-type dimers: a comparative study of DFT and SMD methods
Doveiko, D., Kubiak-Ossowska, K. & Chen, Y., 27 Mar 2025, In: Journal of Physical Chemistry A. 129, 12, p. 2946–2957 12 p.Research output: Contribution to journal › Article › peer-review
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2D Interfacial crystallization stabilized by short-chain aliphatic interfaces
Swanson, H. W. A., Barriales, K., Sherman, E. A., Li, T.-D., Kennedy, A. R., Tuttle, T., Ulijn, R. V. & Lau, K. H. A., 25 Mar 2025, In: Langmuir : the ACS journal of surfaces and colloids. 41, 11, p. 7376-7385 10 p.Research output: Contribution to journal › Article › peer-review
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Uncovering the vibrational modes of zwitterion glycine in aqueous solution
Christie, M., Mohammadpour, M., Sefcik, J., Faulds, K. & Johnston, K., 1 Mar 2025, In: Vibrational Spectroscopy. 137, 8 p., 103783.Research output: Contribution to journal › Article › peer-review
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Development of a coarse-grained model for the early stages of ordered mesoporous silica formation
Stavert, T., Patwardhan, S. V. & Jorge, M., 21 Feb 2025, In: Molecular Simulation. 51, 3, p. 188-205 18 p.Research output: Contribution to journal › Article › peer-review
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Synthetic flagella spin and contract at the expense of chemical fuel
Kriebisch, B. A. K., Kriebisch, C. M. E., Swanson, H. W. A., Bublitz, D., Kube, M., Bergmann, A. M., van Teijlingen, A., MacPherson, Z., Kartouzian, A., Dietz, H., Rief, M., Tuttle, T. & Boekhoven, J., 9 Jan 2025, In: Chem. 11, 1, 102293.Research output: Contribution to journal › Article › peer-review
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Scale effects on ship vertical force and trim moment in calm water
Le Strat, M. & Terziev, M., 2 Jan 2025, In: Physics of Fluids. 37, 1, 015122.Research output: Contribution to journal › Article › peer-review
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2024
C–H activation and hydrogen isotope exchange of aryl carbamates using iridium(I) complexes bearing chelating NHC-phosphine ligands
Zorzatto, R., Mulrainey, P. T., Reid, M., Tuttle, T., Lindsay, D. M. & Kerr, W. J., 10 Dec 2024, In: Chemistry - A European Journal. 30, 69, 8 p., e202403090.Research output: Contribution to journal › Article › peer-review
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Numerical investigation of a point absorber wave energy converter integrated with vertical wall and latching control for enhanced power extraction
Yang, I., Terziev, M., Tezdogan, T. & Incecik, A., 27 Sept 2024, In: Marine Energy Research. 1, 1, 26 p.Research output: Contribution to journal › Article › peer-review
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Modular synthesis of azines bearing a guanidine core from N-Heterocyclic carbene (NHC)-derived selenoureas and diazo reagents
Tonis, E., Tzouras, N. V., Pozsoni, N. B., Saab, M., Bhandary, S., Van Hecke, K., Nelson, D. J., Nahra, F., Nolan, S. P. & Vougioukalakis, G. C., 19 Sept 2024, In: Chemistry- A European Journal. 30, 53, e202401816.Research output: Contribution to journal › Article › peer-review
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Effect of leading and secondary vortices on the propulsion performance of an undulating swimmer in the periodic vortex street
Li, R., Wang, P., Jia, L., Han, Y. & Yu, K., 1 Sept 2024, In: Applied Ocean Research. 150, 13 p., 104119.Research output: Contribution to journal › Article › peer-review
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ANI neural network potentials for small molecule pKa prediction
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 29 Aug 2024, (E-pub ahead of print) In: Physical Chemistry Chemical Physics. 26, 36, p. 23934-23943 10 p.Research output: Contribution to journal › Article › peer-review
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An active machine learning discovery platform for membrane-disrupting and pore-forming peptides
van Teijlingen, A., Edwards, D. C., Hu, L., Lilienkampf, A., Cockroft, S. L. & Tuttle, T., 7 Jul 2024, In: Physical Chemistry Chemical Physics. 26, 25, p. 17745-17752 8 p.Research output: Contribution to journal › Article › peer-review
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Automatic design of interpretable control laws through parametrized genetic programming with adjoint state method gradient evaluation
Marchetti, F., Pietropolli, G., Camerota Verdù, F. J., Castelli, M. & Minisci, E., 1 Jul 2024, In: Applied Soft Computing Journal. 159, 17 p., 111654.Research output: Contribution to journal › Article › peer-review
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Numerical modelling of ship-generated solitary waves
Terziev, M. & Incecik, A., 1 Jul 2024, In: Applied Ocean Research. 148, 17 p., 104016.Research output: Contribution to journal › Article › peer-review
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Unsteady RANS CFD simulation on the parametric roll of small fishing boat under different loading conditions
Iqbal, M., Terziev, M., Tezdogan, T. & Incecik, A., 30 Jun 2024, In: Journal of Marine Science and Technology. 23, 2, p. 327-351 25 p.Research output: Contribution to journal › Article › peer-review
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Unsteady hydrodynamics of a surface piercing and fully submerged body when entering a lock
Liu, Y., Zhao, G., Terziev, M., Dai, D., Feng, A. & Yuan, Z., 25 Jun 2024, In: Physics of Fluids. 36, 6, 063111.Research output: Contribution to journal › Article › peer-review
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A multifunctional drug delivery system based on switchable peptide-stabilized emulsions
Boas, D., van Teijlingen, A., Shpilt, Z., Shalev, D. E., Tshuva, E. Y., Tuttle, T. & Reches, M., 13 Jun 2024, In: Chem. 10, 6, p. 1821-1838 18 p.Research output: Contribution to journal › Article › peer-review
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Iridium-catalysed C(sp3)−H activation and hydrogen isotope exchange via nitrogen-based carbonyl directing groups
Knight, N. M. L., Thompson, J. D. F., Parkinson, J. A., Lindsay, D., Tuttle, T. & Kerr, W. J., 10 Jun 2024, In: Advanced Synthesis and Catalysis. 366, 11, p. 2577-2586 10 p.Research output: Contribution to journal › Article › peer-review
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Opensource machine learning metamodels for assessing blade performance impairment due to general leading edge degradation
Castorrini, A., Ortolani, A., Minisci, E. & Campobasso, M. S., 10 Jun 2024, In: Journal of Physics: Conference Series. 2767, 5, 10 p., 052055.Research output: Contribution to journal › Article › peer-review
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The impact of plasticisers on crystal nucleation, growth and melting in linear polymers
Wadkin-Snaith, D., Mulheran, P. A. & Johnston, K., 3 Jun 2024, In: Polymer. 304, 27 p., 127095.Research output: Contribution to journal › Article › peer-review
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Estimating binding energies of π-stacked aromatic dimers using force field-driven molecular dynamics
Doveiko, D., Kubiak-Ossowska, K. & Chen, Y., 26 May 2024, In: International Journal of Molecular Sciences. 25, 11, 10 p., 5783.Research output: Contribution to journal › Article › peer-review
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