Publications 2025

2025 (66 articles)

  1. N.P. Williams, B. Zelent, D. Trimble, S.M. O’Shaughnessy, "Experimental determination of the entropic heat coefficient of a lithium-ion cell through immersion in a dielectric fluid", Applied Thermal Engineering, 258, 2025, 124597, Source
  2. Catherine Dal Fior, Benjamin Huybrechts, Frédéric Dufays, "Perceiving and accessing resources in uncertain environments: insights from waste collection ventures in Burkina Faso", International Journal of Entrepreneurial Behavior & Research, , 2025, , Source
  3. Steven Golovkine, Edward Gunning, Andrew J. Simpkin, Norma Bargary, "On the estimation of the number of components in multivariate functional principal component analysis", Communications in Statistics - Simulation and Computation, , 2025, 1-9, Source
  4. Ahmed Ahmed, Andrey Bezrukov, Debobroto Sensharma, Ciaran O’Malley, Michael J. Zaworotko, Davide Tiana, Constantina Papatriantafyllopoulou, "Synthesis and Characterisation of Multivariate Metal–Organic Frameworks for Controlled Doxorubicin Absorption and Release", Molecules, 30, 2025, 1968, Source
  5. Ronan F. O'Toole, Vitalie Covalciuc, Ana Cooke, Gaetan Thilliez, Emma K. Finlay, Kelvin W.C. Leong, Vanessa Farthing, Sebastiaan J. van Hal, "Genomic characterisation of emerging Enterococcus faecium vanA types from 2013 to 2020 in an Australian public hospital", Journal of Global Antimicrobial Resistance, 42, 2025, 42-50, Source
  6. Roger F. Cracknell, Filimonas Kaliafetis, Vaibhav Patel, Henry J. Curran, "Understanding the ignition delay of E20 gasolines and E20 gasoline surrogates", Fuel, 386, 2025, 134111, Source
  7. Andrei M. Ermakov, Zain Anwar Ali, Kumars Mahmoodi, Oliver Mason, John V. Ringwood, "Optimisation of heterogeneous wave energy converter arrays: A control co-design strategy", Renewable Energy, 244, 2025, 122637, Source
  8. P.J. Murphy, S. Alimohammadi, S.M. O'Shaughnessy, "Experimental investigation of a wall-bounded dual jet flow for varying Reynolds number: Flow visualisation, hydrodynamic characteristics, and associated heat transfer", International Journal of Thermal Sciences, 211, 2025, 109699, Source
  9. Saurabh Kharwar, Farzan Gity, Paul K. Hurley, Lida Ansari, "Cadmium passivation induced negative differential resistance in cove edge graphene nanoribbon device", Scientific Reports, 15, 2025, 8598, Source
  10. Ivan Saldan, Lilian Moumaneix, Muhammad Umer, David Pavlinak, Martina Rihova, Eva Kolibalova, Josef Petrus, Tanja Kallio, Matthias Vandichel, Jan M. Macak, "Palladium Nanocubes with {100} Facets for Hydrogen Evolution Reaction: Synthesis, Experiment and Theory", Small, 21, 2025, , Source
  11. Subhrajyoti Bhandary, Tara Ryan, Pavan Sreenivasa Rao, Noel O'Dowd, Anthony Linden, Anna M. Kaczmarek, Sarah Guerin, Kristof Van Hecke, "Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals", Small, 21, 2025, 2501145, Source
  12. Julia Subbotina, Panagiotis D. Kolokathis, Andreas Tsoumanis, Nikolaos K. Sidiropoulos, Ian Rouse, Iseult Lynch, Vladimir Lobaskin, Antreas Afantitis, "UANanoDock: A Web-Based UnitedAtom Multiscale Nanodocking Tool for Predicting Protein Adsorption onto Nanoparticles", Journal of Chemical Information and Modeling, 65, 2025, 3142-3153, Source
  13. Heriberto Díaz Velázquez, Karla Vanessa Vega-Calleja, Raju Lipin, Matthias Vandichel, Luis Eduardo Quintero-Mondragón, Jazmín N. Castillo-Cervantes, José Gonzalo Hernández-Cortez, Rafael Martínez-Palou, "Exploring a new silica-supported Brønsted-Lewis ionic liquid catalyst for the cycloaddition of CO2 and propylene oxide: A combined experimental and computational study", Journal of CO2 Utilization, 94, 2025, 103048, Source
  14. Tommy Murphy, Christopher A. Broderick, Frank H. Peters, Eoin P. O'Reilly, "Lateral Quantum-Confined Stark Effect for Integrated Quantum Dot Electroabsorption Modulators", IEEE Journal of Selected Topics in Quantum Electronics, 31, 2025, 1900310, Source
  15. Valerio Briganti, Alessandro Lunghi, "A machine-learning framework for accelerating spin-lattice relaxation simulations", npj Computational Materials, 11, 2025, , Source
  16. Soumi Haldar, Lorenzo A. Mariano, Alessandro Lunghi, Laura Gagliardi, "Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation", Journal of Chemical Theory and Computation, 21, 2025, 2829-2838, Source
  17. Jamie Allen, Tobias Krämer, Lydia G. Barnes, Rebecca R. Hawker, Kuldip Singh, Alexander F. R. Kilpatrick, "Organozinc β-Thioketiminate Complexes and Their Application in Ketone Hydroboration Catalysis", Organometallics, 44, 2025, 749-759, Source
  18. Claire Bergin, Wouter Mostert, Vikram Pakrashi, Frederic Dias, "A numerical investigation into the interaction between rain and water waves", Computers & Fluids, 289, 2025, 106534, Source
  19. Carlos Marquez, Farzan Gity, Jose C. Galdon, Alberto Martinez, Norberto Salazar, Lida Ansari, Hazel Neill, Luca Donetti, Francisco Lorenzo, Manuel Caño‐Garcia, Ruben Ortega, Carlos Navarro, Carlos Sampedro, Paul K. Hurley, Francisco Gamiz, "On the Enhanced p‐Type Performance of Back‐Gated WS2 Devices", Advanced Electronic Materials, (online issue) 2025, 250079, Source
  20. Asif Raza, Sousa Javan Nikkhah, Lilia Croitor, Ahmed Gamal Attallah, Eric Hirschmann, Matthias Vandichel, Soumya Mukherjee, "An ionic ultramicroporous polymer with engineered nanopores enables enhanced acetylene/carbon dioxide separation", Chemical Communications, 61, 2025, 6466-6469, Source
  21. Kyriaki Koupepidou, Alan C. Eaby, Debobroto Sensharma, Sousa Javan Nikkhah, Tao He, Matteo Lusi, Matthias Vandichel, Leonard J. Barbour, Soumya Mukherjee, Michael J. Zaworotko, "A Needle in a Haystack: Transient Porosity in a Closed Pore Square Lattice Coordination Network", Angewandte Chemie International Edition, 64, 2025, , Source
  22. Prakash P.S., Jenny Hanafin, Divyajyoti Sarkar, Marta Olszewska, "Accelerating Electric Vehicle (EV) adoption: A remote sensing data driven and deep learning-based approach for planning public car charging infrastructure", Remote Sensing Applications: Society and Environment, 37, 2025, 101447, Source
  23. Jonathan Mackey, Arun Mathew, Ahmad A. Ali, Thomas J. Haworth, Robert Brose, Sam Green, Maria Moutzouri, Stefanie Walch, "Thermal emission from bow shocks", Astronomy & Astrophysics, 696, 2025, A91, Source
  24. Pengzhi Wang, Jesus Caravaca-Vilchez, Tibor Nagy, Shijun Dong, Xiaobei Cheng, Karl Alexander Heufer, Henry J. Curran, "A focus on the first-stage ignition of n-pentane", Combustion and Flame, 277, 2025, 114207, Source
  25. Killian Long, Asaf Pe’er, "A parametric study of population inversions in relativistic plasmas through non-resonant interactions with Alfvén waves and their applications to fast radio bursts", Monthly Notices of the Royal Astronomical Society, 538, 2025, 1029-1045, Source
  26. Mohsen H. Moghimi, Maryam Karimi-Jafari, Orest Shardt, "Simulations of sprays in vessels and the effects of key variables for understanding cleaning processes", Chemical Engineering Research and Design, 217, 2025, 128-151, Source
  27. Wenguang Zhao, Sahan Wasala, Tim Persoons, "Large eddy simulation for aeroacoustic prediction and characterization of electronics cooling axial fans under various operating conditions", Applied Acoustics, 231, 2025, 110530, Source
  28. Jim Hickey, Wenguang Zhao, Tim Persoons, "Experimental and numerical investigation of winglet designs for optimized performance of small axial fans", Applied Acoustics, 231, 2025, 110448, Source
  29. Keelan M. Byrne, Jamie Hicks, Liam P. Griffin, Simon Aldridge, Tobias Krämer, "Hydride Rebound: A Frustrated Lewis Pair (FLP)‐Type Cooperative Mechanism for H2 Activation by a Potassium Aluminyl Compound", Chemistry – A European Journal, 31, 2025, , Source
  30. Alessandro Messori, Marcel Potocnik, Sara Belazregue, Richard Collins, Tobias Krämer, F. Mark Chadwick, "PCP and POCOP complexes of calcium", Chemical Communications, 61, 2025, 7827-7830, Source
  31. Thomas M. Horsley Downie, Keelan M. Byrne, Alan R. Kennedy, Peter A. Macdonald, Diney S. Shanfrezan, Ailish Thomson, Tobias Krämer, Robert E. Mulvey, Stuart D. Robertson, "Isomeric Effects in Lithium Dihydropyridinate Chemistry: The Privileged Status of the tert‐Butyl Isomer", Chemistry – A European Journal, 31, 2025, , Source
  32. J. Harmon O'Driscoll, M.G. Healy, A. Siggins, J. McGinley, E. O'Brien, J. Wang, P. Holloway, P.-E. Mellander, L. Morrison, S. Scannell, P.C. Ryan, "Quantifying the influence of climate change on pesticide risks in drinking water", Science of The Total Environment, 972, 2025, 179090, Source
  33. Conor Murphy, Tara Quinn, Liam Heaphy, Enda O’Brien, Paul Nolan, "Adapting to climate change: Insights on being better prepared for Ireland’s future climate", Administration, 73, 2025, 73-101, Source
  34. Mansour Almazroui, M. Salman Khalid, Muhammad Adnan Abid, Irfan Ur Rashid, Shahzad Kamil, Haroon Siddiqui, M. Nazrul Islam, Muhammad Ismail, Muhammad Azhar Ehsan, Enda O'Brien, Mazen Asiri, Rayees Ahmed, Sajjad Saeed, Ahmad E. Samman, Fred Kucharski, Osama H. Arif, Ayisha Ali Arishi, "ENSO teleconnections and predictability of the boreal summer temperature over the Arabian Peninsula in C3S and Saudi-KAU seasonal forecast systems", Atmospheric Research, 315, 2025, 107856, Source
  35. James P. Gleeson, Ailbhe Cassidy, Daniel Giles, Ali Faqeeh, "Time-dependent influence metric for cascade dynamics on networks", Physical Review E, 111, 2025, 054310, Source
  36. Tendai Mukande, Esraa Ali, Annalina Caputo, Ruihai Dong, Noel O'Connor, "Towards Efficient Hypergraph Representation Learning for Multi-Behaviour Recommender Systems", Companion Proceedings of the ACM on Web Conference 2025, 2025, 1204-1208, Source
  37. Judith Würmel, John M. Simmie, "Kinetics of Tautomerization Reactions of Trithiocyanuric Acid at Low Temperatures", International Journal of Chemical Kinetics, 57, 2025, 479-486, Source
  38. Sukantha Dey, Emily H. Field, Yuehui Wang, Kyunghoon Han, Rohit Kumar, Linda J. W. Shimon, Shuaijie Liu, Sarah Guerin, Joshua T. Berryman, Wei Ji, Nicholas P. Reynolds, Santu Bera, "Fluorination Induced Inversion of Helicity and Self‐Assembly Into Cross‐α Like Piezoelectric Amyloids by Minimalistic Designer Peptide", Small, 21, 2025, 2500288, Source
  39. Shubham Vishnoi, Geetu Kumari, Robert Guest, Pierre‐André Cazade, Sarah Guerin, "High‐Throughput Computational Screening of Small Molecular Crystals for Sustainable Piezoelectric Materials", Angewandte Chemie International Edition, 64, 2025, e202501232, Source
  40. Geetu Kumari, Charlie O’Mahony, Ragima V.P. Veluthaparambath, Suman Bhattacharya, Binoy K. Saha, Sarah Guerin, "Halogen and hydrogen bonded 2-X-pyridin-3-ol (X = Cl, Br, I) organic crystals with large shear piezoelectricity", Matter, 8, 2025, 102098, Source
  41. Arup Sarkar, Alessandro Lunghi, "A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits", The Journal of Physical Chemistry A, 129, 2025, 7160-7169, Source
  42. Soumalya Roy, Botan Li, Ezhava Manu Manohar, Arup Sarkar, Sukanta Saha, Lin Sun, Atanu Dey, Junseong Lee, Sourav Das, "Trinuclear ZnII-LnIII Complexes: Single-Ion Magnet Behavior in the Zn2Dy Analogue", Crystal Growth & Design, 25, 2025, 2639-2649, Source
  43. Mairi McCauley, Lida Ansari, Farzan Gity, Matthew Rogers, Joel Burton, Satoshi Sasaki, Quentin Ramasse, Craig Knox, Paul K. Hurley, Donald MacLaren, Timothy Moorsom, "Investigation of hybrid plasmons in a highly crystalline Bi2Se3/C60 heterostructure using low-loss electron energy loss spectroscopy", Communications Materials, 6, 2025, 166, Source
  44. Ji Liu, Jean-Pierre Glauber, Julian Lorenz, Detlef Rogalla, Corinna Harms, Anjana Devi, Michael Nolan, "Surface Oxidation of Transition Metal Nitrides", The Journal of Physical Chemistry C, 129, 2025, 11173-11182, Source
  45. N.P. Williams, D. Trimble, S.M. O’Shaughnessy, "Thermal performance of lithium-ion battery tabs under liquid immersion cooling conditions", Future Batteries, 5, 2025, 100037, Source
  46. Niall P. Williams, Daniel Trimble, Séamus M. O’Shaughnessy, "Electrochemical-thermal numerical model of a lithium-ion battery under natural convection liquid immersion cooling conditions", Energy Conversion and Management: X, 27, 2025, 101062, Source
  47. P.J. Murphy, S. Alimohammadi, S.M. O'Shaughnessy, "Experimental investigation of the effect of the offset ratio on the flow characteristics and heat transfer behaviour of a wall-bounded dual jet flow", International Journal of Thermofluids, 26, 2025, 101125, Source
  48. Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A. Abu-Saleh, Ayaz Ahmad, Jesus Alvarado-Huayhuaz, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith, Kelly E. Bachta, Hartmut Beck, Denes Berta, Mateusz K. Bieniek, Vincent Blay, Albina Bolotokova, Philip E. Bourne, Marko Breznik, Peter J. Brown, Aaron D. G. Campbell, Emanuele Carosati, Irene Chau, Daniel J. Cole, Ben Cree, Wim Dehaen, Katrin Denzinger, Karina dos Santos Machado, Ian Dunn, Prasannavenkatesh Durai, Kristina Edfeldt, Aled Edwards, Darren Fayne, Daniel Felfoldi, Kallie Friston, Pegah Ghiabi, Elisa Gibson, Judith Günther, Anders Gunnarsson, Alexander Hillisch, Douglas R. Houston, Jan Halborg Jensen, Rachel J. Harding, Kate S. Harris, Laurent Hoffer, Anders Hogner, Joshua T. Horton, Scott Houliston, Judd F. Hultquist, Ashley Hutchinson, John J. Irwin, Marko Jukič, Shubhangi Kandwal, Andrea Karlova, Vittorio L. Katis, Ryan P. Kich, Dmitri Kireev, David Koes, Nicole L. Inniss, Uta Lessel, Sijie Liu, Peter Loppnau, Wei Lu, Sam Martino, Miles McGibbon, Jens Meiler, Akhila Mettu, Sam Money-Kyrle, Rocco Moretti, Yurii S. Moroz, Charuvaka Muvva, Joseph A. Newman, Leon Obendorf, Brooks Paige, Amit Pandit, Keunwan Park, Sumera Perveen, Rachael Pirie, Gennady Poda, Mykola Protopopov, Vera Pütter, Federico Ricci, Natalie J. Roper, Edina Rosta, Margarita Rzhetskaya, Yogesh Sabnis, Karla J. F. Satchell, Frederico Schmitt Kremer, Thomas Scott, Almagul Seitova, Casper Steinmann, Valerij Talagayev, Olga O. Tarkhanova, Natalie J. Tatum, Dakota Treleaven, Adriano Velasque Werhli, W. Patrick Walters, Xiaowen Wang, Jude Wells, Geoffrey Wells, Yvonne Westermaier, Gerhard Wolber, Lars Wortmann, Jixian Zhang, Zheng Zhao, Shuangjia Zheng, Matthieu Schapira, "CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13", Journal of Chemical Information and Modeling, 65, 2025, 6884-6898, Source
  49. Gloria Ana, Azizah M. Malebari, Sara Noorani, Darren Fayne, Niamh M. O’Boyle, Daniela M. Zisterer, Elisangela Flavia Pimentel, Denise Coutinho Endringer, Mary J. Meegan, "(E)-1-(3-(3-Hydroxy-4-Methoxyphenyl)-1-(3,4,5-Trimethoxyphenyl)allyl)-1H-1,2,4-Triazole and Related Compounds: Their Synthesis and Biological Evaluation as Novel Antimitotic Agents Targeting Breast Cancer", Pharmaceuticals, 18, 2025, 118, Source
  50. Michael Sweetman, Cara-Lena Nies, Michael Nolan, "Structure and stability of copper nanoclusters on monolayer tungsten dichalcogenides", Dalton Transactions, 54, 2025, 3833-3846, Source
  51. Enda O'Brien, Seanie Griffin, Catriona Duffy, Paul Nolan, "Resolving the Dry Period Projection Paradox: Treat ‘Consecutiveness’ as a Nonlinearity", International Journal of Climatology, (First online published in 2024), vol. 45, 2025, e8745. Source
  52. Mohsen H. Moghimi, José A. Monterrubio López, Ciarán Guy, Gerard M. O'Connor, Ronan MacLoughlin, Nathan J. Quinlan, "Primary droplet formation in a microscopic vibrating-mesh nebulizer aperture at ultrasonic frequency: Computational and macroscale experimental modeling", Physics of Fluids, 37, 2025, , Source
  53. Mohamad Baassiri, Vivek Ranade, Luis Padrela, "Characterizing flow of pressurized CO2 through micro-orifice for atomization applications: Experiments and CFD modelling", Journal of CO2 Utilization, 98, 2025, 103132, Source
  54. Pelle van de Bor, John Brennan, John A. Regan, Jonathan Mackey, "Bridging Machine Learning and Cosmological Simulations: Using Neural Operators to emulate Chemical Evolution", The Open Journal of Astrophysics, 8, 2025, , Source
  55. Lewis R Prole, John A Regan, Daxal Mehta, Peter Coles, Pratika Dayal, "Primordial black holes in cosmological simulations: growth prospects for supermassive black holes", The Open Journal of Astrophysics, 8, 2025, , Source
  56. John Brennan, Sreedhar Balu, Yuxiang Qin, John Regan, Chris Power, "On the Use of WGANs for Super Resolution in Dark-Matter Simulations", The Open Journal of Astrophysics, 8, 2025, , Source
  57. Mark Fortune, Neale P. Gibson, Hannah Diamond-Lowe, João M. Mendonça, Amélie Gressier, Daniel Kitzmann, Natalie H. Allen, Prune C. August, Jegug Ih, Erik Meier Valdés, Merlin Zgraggen, Lars A. Buchhave, Brice-Olivier Demory, Néstor Espinoza, Kevin Heng, Kathryn Jones, Alexander D. Rathcke, "Hot Rocks Survey", Astronomy & Astrophysics, 701, 2025, A25, Source
  58. Vilas Patil, Hazel Neill, Brendan Sheehan, Paul K. Hurley, Lida Ansari, Farzan Gity, "Dopingless Ambipolar Field‐Effect Transistors Based on MoTe2 2D Material for CMOS Nanoelectronics", Advanced Electronic Materials, 11, 2025, , Source
  59. Trevor Doherty, Edel McDermott, Sarah Jane Delany, Hugh Mulcahy, Therese M. Murphy, "Analysis of blood-based DNA methylation signatures of aging and disease progression in inflammatory bowel disease", Human Genetics, , 2025, , Source
  60. Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "Developments in Drag Reduction Methods and Devices for Road Vehicles", Applied Sciences, 15, 2025, 9693, Source
  61. Sharieh Jamalzadeh Kheirabadi, Luca Persichetti, Lida Ansari, Gabriele Anselmi, Paul K. Hurley, Luca Camilli, Farzan Gity, "Atomic-Scale Defects and Edge Engineering of ZrSe 2 Nanosheets: Correlated Microscopy, Spectroscopy and DFT Study with Implications for Quantum Device Applications", ACS Applied Nano Materials, 8, 2025, 20848-20857, Source
  62. Kimberly Intonti, Hazel Neill, Sharieh Jamalzadeh Kheirabadi, Zabeada Aslam, Timothy Moorsom, Joslin Sunder Prasanna, Rafik Addou, Luca Persichetti, Anna Sgarlata, Luca Camilli, Stephen O'Sullivan, Vilas Patil, Davinder Singh, Brendan Sheehan, Paul K. Hurley, Lida Ansari, Antonio Di Bartolomeo, Farzan Gity, "Oxidation-driven structural, chemical and electrical transformation in ZrSe2", Materials Today Advances, 28, 2025, 100654, Source
  63. Parisa Naeiji, Niall.J. English, "Time evolution of nanobubbles generation from CO2 hydrate dissociation: Effects of p-T conditions and system size", Journal of Molecular Liquids, 436, 2025, 128281, Source
  64. Parisa Naeiji, Joaquín Klug, Mary Ajide, Niall English, "Machine-Learned Force Fields for Investigating the Interfacial Properties of HOPG Structures: Implications for Supercapacitors and Adsorption", The Journal of Physical Chemistry C, , 2025, , Source
  65. Jiaxin Liu, Yichen Gao, Pengzhi Wang, Hossein S. Saraee, Sirio Brunialti, S. Mani Sarathy, Peter K. Senecal, Jin-Tao Chen, Shuai Huang, Qingmiao Ding, Shijun Dong, Henry J. Curran, "An ignition delay time and automated chemical kinetic modeling study of three heptene isomers", Combustion and Flame, 280, 2025, 114409, Source
  66. Jiaxin Liu, Jin-Tao Chen, Maryam Khan-Ghauri, Joseph E. Jacobs, Claire M. Grégoire, Olivier Mathieu, Eric L. Petersen, Peter K. Senecal, Chong-Wen Zhou, Henry J. Curran, "An experimental and kinetic modeling study of ethyl tert-butyl ether. Part I: High-temperature pyrolysis and oxidation chemistry", Combustion and Flame, 281, 2025, 114394, Source

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