Publications 2023

2023 (44 articles)

Andrei Ermakov, Florent Thiebaut, Gregory S. Payne, John V. Ringwood, " Validation of a control-oriented point vortex model for a cyclorotor-based wave energy device,", Journal of Fluids and Structures, 119, 2023 , 103875, Source
Benedek Stadler, Hilary H. Y. Meng, Sara Belazregue, Leah Webster, Alberto Collauto, Keelan M. Byrne, Tobias Krämer, F. Mark Chadwick, " PCP Pincer Complexes of Titanium in the +3 and +4 Oxidation States,", Organometallics, , 2023 , , Source
Brajesh Narayan, Christina Kiel, Nicolae-Viorel Buchete, " Classification of GTP-dependent K-Ras4B active and inactive conformational states,", The Journal of Chemical Physics, 158, 2023 , 091104, Source
Clement Calvino, Tomasz Dabrowski, Frederic Dias, " A study of the wave effects on the current circulation in Galway Bay, using the numerical model COAWST,", Coastal Engineering, 180, 2023 , 104251, Source
Conor Murphy, Anthony Kettle, Hadush Meresa, Saeed Golian, Michael Bruen, Fiachra OLoughlin, Per-Erik Mellander, " Climate Change Impacts on Irish River Flows: High Resolution Scenarios and Comparison with CORDEX and CMIP6 Ensembles,", Water Resources Management, 37, 2023 , 1841--1858, Source
David O. Obada, Emmanuel Okafor, Simeon A. Abolade, Aniekan M. Ukpong, David Dodoo-Arhin, Akinlolu Akande, " Explainable machine learning for predicting the band gaps of ABX3 perovskites,", Materials Science in Semiconductor Processing, 161, 2023 , 107427, Source
David O. Obada, Semiyou A Osseni, Haziz Sina, Ayodeji N. Oyedeji, Kazeem A. Salami, Emmanuel Okafor, Stefan Csaki, Simeon A. Abolade, Akinlolu Akande, Muhammad Dauda, Laminu S. Kuburi, Sadou Dalhatou, Johnson K Abifarin, Abdulaziz A. Bada, Emmanuel T. Dauda, " Hydroxyapatite~materials-synthesis routes, mechanical behavior, theoretical~insights, and artificial intelligence models: a review,", Journal of the Australian Ceramic Society, , 2023 , , Source
D. S. Lambert, D. D. ORegan, " Use of ", Physical Review Research, 5, 2023 , , Source
E. Garlatti, A. Albino, S. Chicco, V. H. A. Nguyen, F. Santanni, L. Paolasini, C. Mazzoli, R. Caciuffo, F. Totti, P. Santini, R. Sessoli, A. Lunghi, S. Carretta, " The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits,", Nature Communications, 14, 2023 , , Source
Emad Tandis, Philip Cardiff, " Finite volume-based supervised machine learning models for linear elastostatics,", Advances in Engineering Software, 176, 2023 , 103390, Source
Goran Nakerst, Masudul Haque, " Chaos in the three-site Bose-Hubbard model: Classical versus quantum,", Physical Review E, 107, 2023 , , Source
Gowthaman Parivendhan, Philip Cardiff, Thomas Flint, vZeljko Tukovic, Muhannad Obeidi, Dermot Brabazon, Alojz Ivankovic, " A numerical study of processing parameters and their effect on the melt-track profile in Laser Powder Bed Fusion processes,", Additive Manufacturing, 67, 2023 , 103482, Source
Jaime Alegrio Louro, Ramachandran Boopathi, Brice Beinsteiner, Abdul Kareem Mohideen Patel, Tat Cheung Cheng, Dimitar Angelov, Ali Hamiche, Jan Bendar, Seyit Kale, Bruno P. Klaholz, Stefan Dimitrov, " Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms,", Structure, 31, 2023 , 201--212.e5, Source
Jonathan A. Sobota, Samuel W. Teitelbaum, Yijing Huang, Jose D. Querales-Flores, Robert Power, Meabh Allen, Costel R. Rotundu, Trevor P. Bailey, Ctirad Uher, Tom Henighan, Mason Jiang, Diling Zhu, Matthieu Chollet, Takahiro Sato, Mariano Trigo, Eamonn D. Murray, Ivana Savic, Patrick S. Kirchmann, Stephen Fahy, David A. Reis, Zhi-Xun Shen, " Influence of local symmetry on lattice dynamics coupled to topological surface states,", Physical Review B, 107, 2023 , , Source
Judith Würmel, John M. Simmie, " Abstraction and addition reactions of four $upgamma$-lactones with H-atoms and methyl radicals,", International Journal of Chemical Kinetics, , 2023 , , Source
Licheng Zhu, Daniel McCrum, Conor Sweeney, Jennifer Keenahan, " Full-scale computational fluid dynamics study on wind condition of the long-span Queensferry Crossing Bridge,", Journal of Civil Structural Health Monitoring, 13, 2023 , 615--632, Source
Lorcan Holden, Karmel S. Gkika, Christopher S. Burke, Conor Long, Tia E. Keyes, " Selective, Disruptive Luminescent Ru(II) Polypyridyl Probes of G-Quadruplex,", Inorganic Chemistry, 62, 2023 , 2213--2227, Source
Maddy L. Newby, Carl A. Fogarty, Joel D. Allen, John Butler, Elisa Fadda, Max Crispin, " Variations within the Glycan Shield of SARS-CoV-2 Impact Viral Spike Dynamics,", Journal of Molecular Biology, 435, 2023 , 167928, Source
Mahdiyeh Farajvand, Demian Garcia-Violini, John V. Ringwood, " Representative linearised models for a wave energy converter using various levels of force excitation,", Ocean Engineering, 270, 2023 , 113635, Source
Mahdiyeh Farajvand, Valerio Grazioso, Demian Garcia-Violini, John V. Ringwood, " Uncertainty estimation in wave energy systems with applications in robust energy maximising control,", Renewable Energy, 203, 2023 , 194--204, Source
Mahtab Vafaeefar, Kevin M. Moerman, Majid Kavousi, Ted J. Vaughan, " A morphological, topological and mechanical investigation of gyroid, spinodoid and dual-lattice algorithms as structural models of trabecular bone,", Journal of the Mechanical Behavior of Biomedical Materials, 138, 2023 , 105584, Source
Manik Kumer Ghosh, Sarah N. Elliott, Kieran P. Somers, Stephen J. Klippenstein, Henry J. Curran, " Group additivity values for entropy and heat capacities of C2textendashC8 alkanes, alkyl hydroperoxides, and their radicals,", Combustion and Flame, , 2023 , 112706, Source
Marianne Rica Garcia, Inigo Iribarren, Isabel Rozas, Cristina Trujillo, " Simultaneous Hydrogen Bonds with Different Binding Modes: The Acceptor textquotedblleftRulestextquotedblright but the Donor textquotedblleftChoosestextquotedblright,", Chemistry textendash A European Journal, 29, 2023 , , Source
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M. Oliva-Enrich, " Reactivity of a model of B3P3-doped nanographene with up to three CO2 molecules,", Scientific Reports, 13, 2023 , , Source
Morad M. El-Hendawy, Ibtesam M. Desoky, Mahmoud M. A. Mohamed, Henry J. Curran, " Pyridinium-Inspired Organocatalysts for Carbon Dioxide Fixation: A Density Functional Theory Inspection,", The Journal of Physical Chemistry A, 127, 2023 , 29--37, Source
M. Stamenova, P. Stamenov, N. Baadji, " Ab initio comparison of spin-transport properties in MgO-spaced ferrimagnetic tunnel junctions based on Mn3Ga and Mn3Al,", AIP Advances, 13, 2023 , 025016, Source
Nima Najafi Ziarani, Malcolm J. Cook, Farnood Freidooni, Paul D. OtextquotesingleSullivan, " The role of near-faccade flow in wind-dominant single-sided natural ventilation for an isolated three-storey building: An LES study,", Building and Environment, 235, 2023 , 110210, Source
Obinna A. Osuchukwu, Abdu Salihi, Ibrahim Abdullahi, David O. Obada, Simeon A. Abolade, Akinlolu Akande, Stefan Csaki, David Dodoo-Arhin, " Datasets on the elastic and mechanical properties of hydroxyapatite: A first principle investigation, experiments, and pedagogical perspective,", Data in Brief, 48, 2023 , 109075, Source
Omar Coughlin, Tobias Krämer, Sophie L. Benjamin, " Cationic Triarylchlorostibonium Lewis Acids,", Organometallics, 42, 2023 , 339--346, Source
Paul Albert, Eric Arazo, Tarun Krishna, Noel E. OtextquotesingleConnor, Kevin McGuinness, " Is your noise correction noisy? PLS: Robustness to label noise with two stage detection,", , book, 2023 , , Source
Phillip C. Burke, Goran Nakerst, Masudul Haque, " Assigning temperatures to eigenstates,", Physical Review E, 107, 2023 , , Source
Phillip C. Burke, Masudul Haque, " Entropy and temperature in finite isolated quantum systems,", Physical Review E, 107, 2023 , , Source
Reabetswe R. Zwane, Joaquin Klug, Sarah Guerin, Damien Thompson, Anthony M. Reilly, " Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular Crystals,", The Journal of Physical Chemistry C, 127, 2023 , 5533--5543, Source
Sarah N. Elliott, Kevin B. Moore, Andreas V. Copan, Yuri Georgievskii, Murat Kecceli, Kieran P. Somers, Manik K. Ghosh, Henry J. Curran, Stephen J. Klippenstein, " Systematically derived thermodynamic properties for alkane oxidation,", Combustion and Flame, , 2023 , 112487, Source
Sarah N. Elliott, Murat Kecceli, Manik K. Ghosh, Kieran P. Somers, Henry J. Curran, Stephen J. Klippenstein, " High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method,", The Journal of Physical Chemistry A, 127, 2023 , 1512--1531, Source
Shan Huang, Vinay K. R. Cheemarla, Davide Tiana, Simon E. Lawrence, " Experimental and Theoretical Investigation of Hydrogen-Bonding Interactions in Cocrystals of Sulfaguanidine,", Crystal Growth &amp$mathsemicolon$ Design, 23, 2023 , 2306--2320, Source
Shubhangi Kandwal, Darren Fayne, " Genetic conservation across SARS-CoV-2 non-structural proteins textendash Insights into possible targets for treatment of future viral outbreaks,", Virology, 581, 2023 , 97--115, Source
Sumanta Bhandary, Emiliano Poli, Gilberto Teobaldi, David D. ORegan, " Dynamical Screening of Local Spin Moments at Metal-hMolecule Interfaces,", ACS Nano, 17, 2023 , 5974--5983, Source
Talia Bergaglio, Shayon Bhattacharya, Damien Thompson, Peter Niraj Nirmalraj, " Label-Free Digital Holotomography Reveals Ibuprofen-Induced Morphological Changes to Red Blood Cells,", ACS Nanoscience Au, , 2023 , , Source
Thangavel Vijayakanth, Bin Xue, Sarah Guerin, Sigal Rencus-Lazar, Natalia Fridman, Damien Thompson, Yi Cao, Ehud Gazit, " Heteroatom-directed supramolecular helical-rich architectures in N-terminal protected pyridyl aromatic amino acids,", Journal of Materials Chemistry C, 11, 2023 , 5174--5181, Source
Tijana Djukic, Marko Topalovic, Nenad Filipovic, " Validation of lattice Boltzmann based software for blood flow simulations in complex patient-specific arteries against traditional CFD methods,", Mathematics and Computers in Simulation, 203, 2023 , 957--976, Source
Wenyou Zhang, Da Guo, Lin Wang, Catrin M. Davies, Wajira Mirihanage, Mingming Tong, Noel M. Harrison, " X-ray diffraction measurements and computational prediction of residual stress mitigation scanning strategies in powder bed fusion additive manufacturing,", Additive Manufacturing, 61, 2023 , 103275, Source
Xiaobing Li, Pierre-Andre Cazade, Pan Qi, Damien Thompson, Cunlan Guo, " The role of externally-modulated electrostatic interactions in amplifying charge transport across lysine-doped peptide junctions,", Chinese Chemical Letters, 34, 2023 , 107466, Source
Xi-Tao Yin, Davoud Dastan, Farzan Gity, Jing Li, Zhicheng Shi, Najlaa D. Alharbi, Ying Liu, Xiao-Ming Tan, Xiao-Chun Gao, Xiao-Guang Ma, Lida Ansari, " Gas sensing selectivity of SnO2-xNiO sensors for homogeneous gases and its selectivity mechanism: Experimental and theoretical studies,", Sensors and Actuators A: Physical, 354, 2023 , 114273, Source

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