Publications 2026

2026 (42 articles)

Wenguang Zhao, Jiayu Wang, Sahan Wasala, John Kennedy, Tim Persoons, "Compact Metamaterial Micro-Slit Panel Absorbers for Low-Frequency Tonal and Broadband Noise Control", Applied Acoustics, 241, 2026, 111014, Source
Wenguang Zhao, Sahan Wasala, Tim Persoons, "Fast prediction of broadband and tonal noise of electronics-cooling axial fans", Journal of Sound and Vibration, 621, 2026, 119485, Source
Wenguang Zhao, Tim Persoons, "Near-Field Dynamics of the Tip-Leakage Vortex over a Stationary Blade with Tip Clearance", 32nd AIAA/CEAS Aeroacoustics Conference (2026), 2026, , Source
Hailong Liu, Wenguang Zhao, Shipeng Wang, Tim Persoons, Rui Deng, "Blade-Tip Noise Characterization Using Physics-Informed Neural Networks and Sparse Velocimetry", AIAA Journal, , 2026, 1-13, Source
Suman Bhattacharya, Maria Zubair, Pierre-André Cazade, Jonathan Moffat, Tara E. Ryan, Krishna Hari, Sarah Guerin, "Rigid and electrode-compatible multicomponent organic crystals for piezoelectric energy harvesting", Journal of Materials Chemistry A, 14, 2026, 24441-24447, Source
Manoj Palabathuni, Niraj Nitish Patil, Suvodeep Sen, Geetu Kumari, Sarah Guerin, Shalini Singh, "Influence of composition–phase interplay on the electrochemical activity of ternary transition metal dichalcogenides", Nanoscale, 18, 2026, 12506-12514, Source
Durga Prasad Karothu, Ibrahim Tahir, Sanjit Manohar Majhi, Ejaz Ahmed, Luca Catalano, Niamh T. Hickey, James Weston, Sarah Guerin, Panče Naumov, "The ultrastiff crystals of mucic (galactaric) acid", Chemical Science, 17, 2026, 1831-1839, Source
Shubham Vishnoi, Sarah Guerin, "Predicting and Rationalizing Piezoelectricity in Racemic Bioorganic Molecular Crystals", Angewandte Chemie International Edition, 65, 2026, Source
Ivan Batistić, Pablo Castrillo, Philip Cardiff, "High-order cell-centred finite-volume solid mechanics using a Jacobian-free Newton-Krylov method", Journal of Computational Physics, 563, 2026, 115056, Source
Sam Boxwell, Dylan Armfield, Rachel M.E. Cahalane, William Hickey, Scott Cook, Patricia Kelly, Philip Cardiff, Laoise M. McNamara, "In silico modeling of transcatheter heart valve oversizing and ellipticity, Part I: Establishing credibility of an advanced model", Computer Methods and Programs in Biomedicine, 282, 2026, 109404, Source
Sam Boxwell, Rachel M.E. Cahalane, Dylan Armfield, William Hickey, Scott Cook, Patricia Kelly, Philip Cardiff, Laoise M. McNamara, "In silico modeling of transcatheter heart valve oversizing and ellipticity, Part II: Effects on leaflet mechanics, hemodynamics, and stent deflection contributing to thrombogenic risk and structural degeneration", Computer Methods and Programs in Biomedicine, 281, 2026, 109361, Source
Philip Cardiff, Dylan Armfield, Željko Tuković, Ivan Batistić, "A Jacobian‐Free Newton‐Krylov Method for Cell‐Centred Finite Volume Solid Mechanics", International Journal for Numerical Methods in Engineering, 127, 2026, Source
Tendai Mukande, Noel E. O Connor, "Towards Self-Evolving Knowledge Systems: Enhancing Multimodal Agentic RAG with Hyperbolic Flows", Proceedings of the 2026 International Conference on Multimedia Retrieval, , 2026, 2833-2841, Source
Tendai Mukande, Noel O'Connor, "Towards Efficient Hyperbolic Representation Learning for Recommender Systems", Proceedings of the 20th ACM Conference on Recommender Systems, , 2026, 763-768, Source
Constantinos Menelaou, Vikram Pakrashi, Frédéric Dias, "Displacement and deposition of cliff-bottom rocks using smoothed particle hydrodynamics", Physics of Fluids, 38, 2026, Source
Constantinos Menelaou, Pierre-Michel Guilcher, Frédéric Dias, "Prediction of the displacement of large rocks by waves using smoothed-particle hydrodynamics", Computers & Fluids, 314, 2026, 107080, Source
Aaron McCormack, Ashis Dhara, Lamis Alaa Eldin Refat, Mikael Bols, Paul V. Murphy, "N‐Glycosyl Triazoline Glycomimetics via Huisgen Cycloaddition With an Electron‐Deficient Alkene and BF 3 ‐Catalysed Triazoline Fragmentation to Aziridines", European Journal of Organic Chemistry, 29, 2026, Source
Paul F. A. Clarke, Ivan Cmelo, Runar Helin, Mayur Kishor Shende, Ole-Christoffer Granmo, Darren Fayne, "The Tsetlin Machine: A “Third Way” in QSAR Modeling", Journal of Chemical Information and Modeling, 66, 2026, 6250-6270, Source
Oleksandra Herasymenko, Madhushika Silva, Galen J. Correy, Abd Al-Aziz A. Abu-Saleh, Suzanne Ackloo, Cheryl Arrowsmith, Alan Ashworth, Fuqiang Ban, Hartmut Beck, Kevin P. Bishop, Hugo J. Bohórquez, Albina Bolotokova, Marko Breznik, Irene Chau, Yu Chen, Artem Cherkasov, Wim Dehaen, Dennis Della Corte, Katrin Denzinger, Niklas P. Doering, Kristina Edfeldt, Aled Edwards, Darren Fayne, Francesco Gentile, Elisa Gibson, Ozan Gokdemir, Anders Gunnarsson, Judith Günther, John J. Irwin, Jan Halborg Jensen, Rachel J. Harding, Alexander Hillisch, Laurent Hoffer, Anders Hogner, Ashley Hutchinson, Shubhangi Kandwal, Andrea Karlova, Kushal Koirala, Sergei Kotelnikov, Dima Kozakov, Juyong Lee, Soowon Lee, Uta Lessel, Sijie Liu, Xuefeng Liu, Peter Loppnau, Jens Meiler, Rocco Moretti, Yurii S. Moroz, Charuvaka Muvva, Tudor I. Oprea, Brooks Paige, Amit Pandit, Keunwan Park, Gennady Poda, Mykola V. Protopopov, Vera Pütter, Rahul Ravichandran, Didier Rognan, Edina Rosta, Yogesh Sabnis, Thomas Scott, Almagul Seitova, Purshotam Sharma, François Sindt, Minghu Song, Casper Steinmann, Rick Stevens, Valerij Talagayev, Valentyna V. Tararina, Olga Tarkhanova, Damon Tingey, John F. Trant, Dakota Treleaven, Alexander Tropsha, Patrick Walters, Jude Wells, Yvonne Westermaier, Gerhard Wolber, Lars Wortmann, Shuangjia Zheng, James S. Fraser, Matthieu Schapira, "CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2", Journal of Chemical Information and Modeling, 66, 2026, 1566-1581, Source
Smit Patel, Nadia Elghobashi‐Meinhardt, "Mechanistic Basis of Cholesterol Binding and Transfer in NPC2: Insights From Molecular Dynamics Simulations", ChemBioChem, 27, 2026, Source
Judith Wurmel, John M. Simmie, "Size Matters: Barrier Heights and Widths in the Kinetics Of Tautomerisation and Rotamerisation of Thiotropolone and Its Five‐ and Three‐Membered Cyclic Analogues", International Journal of Chemical Kinetics, , 2026, Source
Judith Wurmel, John M. Simmie, "Cis – Trans Rotational Isomerism of Formic Acid, Sulfur, and Selenium Analogues and Their Dimers: Chemical Kinetics Under Interstellar Conditions", International Journal of Chemical Kinetics, , 2026, Source
Judith Wurmel, John M. Simmie, "Chemical Kinetics of 2‐, 4‐, and 2,4‐Seleno‐Uracils at Low Temperatures: Tautomerizations and Rotamerizations on Inert Matrices", International Journal of Chemical Kinetics, 58, 2026, 881-889, Source
Judith Wurmel, John M. Simmie, "Tautomerization Kinetics of Thiouracils at Low Temperatures Driven Solely by Quantum‐Mechanical Tunnelling: Predictions of Suitable Candidates for Future Experiments", International Journal of Chemical Kinetics, 58, 2026, 269-277, Source
Okan K. Orhan, Frank Daniel Bello, Nicolás Abadía, Ortwin Hess, John F. Donegan, David D. O’Regan, "Multiscale design of Au-based alloys for improved plasmon delivery and nanoheating in near-field transducers", APL Computational Physics, 2, 2026, Source
S. M. Durkan, D. Sandner, R. J. McGarry, L. Varvarezos, L. Tabrizi, J. T. Costello, M. T. Pryce, R. Kienberger, H. Iglev, "Relaxation dynamics of chromium( iii )-oxalate complexes upon excitation in the UV", Physical Chemistry Chemical Physics, 28, 2026, 20289-20303, Source
Delara Soltani, Tim Persoons, Sajad Alimohammadi, "Fluid dynamics of a microfluidic micromixer–micropump driven by adjacent micro synthetic jets", International Communications in Heat and Mass Transfer, 176, 2026, 111400, Source
Alessandro Summer, Alexander Nico-Katz, Shane Dooley, John Goold, "Anomalous transport in U(1)-symmetric quantum circuits", npj Quantum Information, 12, 2026, Source
Ling Han, Callum M. Ives, Ziyu Zhang, Duong T. Bui, Elena N. Kitova, Ojas Singh, Lara K. Mahal, Elisa Fadda, John S. Klassen, "Unraveling the Molecular Basis of Cooperativity in Cholera Toxin–Glycan Interactions", Analytical Chemistry, 98, 2026, 16863-16874, Source
Na Jin, Manting Mu, Max García‐Melchor, Eva Hevia, "Coordination‐Driven Direct C─H Metalation of N ‐Heterocycles With a Superbasic Co(II) Amide Co(TMP) 2", Angewandte Chemie International Edition, 65, 2026, Source
David Sánchez‐Roa, Sophia Belrhomari, Ana McGinley, Clevin Anto Liju, Manting Mu, Max García‐Melchor, Eva Hevia, "Deprotonative C( sp 3 )/C( sp 2 )–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP", Angewandte Chemie International Edition, 65, 2026, Source
David M. Vahey, Manting Mu, Shannon A. Bonke, Timo Sommer, Prithvi Vangal, Carl Mallia, Max García-Melchor, Erwin Reisner, "Anti-Friedel–Crafts alkylation via electron donor–acceptor photoinitiation", Nature Synthesis, 5, 2026, 871-884, Source
Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "On road determination of vehicle drag coefficient using the new constant power plate method", European Journal of Mechanics - B/Fluids, 118, 2026, 204465, Source
Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "The next generation of rear drag reduction devices for road vehicles – the multi cavity concept", Results in Engineering, 30, 2026, 110848, Source
Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "Aerodynamic design and CFD analysis of low drag trailers for road vehicles", Heliyon, 12, 2026, e45417, Source
Liaqat Ali, Javed Rehman, Chong-Wen Zhou, "Theoretical prediction of adsorption and diffusion of sodium on layered CoSe: A first-principles investigation", Journal of Physics and Chemistry of Solids, 215, 2026, 113682, Source
Yuxiang Zhu, Khaiyom Hakimov, Jiabiao Zou, Nafi Farzana, Bo Shu, Bowen Mei, Mohammad Adil, Yuanxinxin Cao, Aamir Farooq, Ravi Fernandes, Yiguang Ju, Xingcai Lu, Henry J. Curran, Chong-Wen Zhou, "An experimental and modeling study of ammonia/methane combustion: The importance of carbon–nitrogen interaction reactions", Combustion and Flame, 289, 2026, 115015, Source
Liaqat Ali, Javed Rehman, Chong-Wen Zhou, "Unlocking the potential of a novel 2D VBC and a VBC/graphene heterostructure as efficient hosts for Li-ion batteries", Materials Advances, 7, 2026, 6297-6309, Source
Michael Sweetman, Michael Nolan, Cara-Lena Nies, "Structure and Dynamics of Co and Ru Adatoms and Nanoclusters on Tungsten Dichalcogenide Monolayers", The Journal of Physical Chemistry C, 130, 2026, 11738-11753, Source
Parisa Naeiji, Joaquín Klug, Niall J. English, "Interfacial Properties of Water on Highly Oriented Pyrolytic Graphite Trained with Machine-Learned Force Fields", The Journal of Physical Chemistry C, 130, 2026, 7720-7734, Source
Omkar V. Khare, Vivek V. Ranade, "Influence of scale on flow and cavitation characteristics of vortex-based hydrodynamic cavitation devices", Chemical Engineering Science, 331, 2026, 124032, Source
Amol Gode, Kyriakos Kourousis, Vivek V. Ranade, "Vortex-Based Cavitation Devices for Continuous Emulsification: Influence of the Device Design, Scale-Up, and Scale-Out", Industrial & Engineering Chemistry Research, 65, 2026, 8081-8101, Source

Publications 2026

2026 (42 articles)

Wenguang Zhao, Jiayu Wang, Sahan Wasala, John Kennedy, Tim Persoons, "Compact Metamaterial Micro-Slit Panel Absorbers for Low-Frequency Tonal and Broadband Noise Control", Applied Acoustics, 241, 2026, 111014, Source

Wenguang Zhao, Sahan Wasala, Tim Persoons, "Fast prediction of broadband and tonal noise of electronics-cooling axial fans", Journal of Sound and Vibration, 621, 2026, 119485, Source

Wenguang Zhao, Tim Persoons, "Near-Field Dynamics of the Tip-Leakage Vortex over a Stationary Blade with Tip Clearance", 32nd AIAA/CEAS Aeroacoustics Conference (2026), 2026, , Source

Hailong Liu, Wenguang Zhao, Shipeng Wang, Tim Persoons, Rui Deng, "Blade-Tip Noise Characterization Using Physics-Informed Neural Networks and Sparse Velocimetry", AIAA Journal, , 2026, 1-13, Source

Suman Bhattacharya, Maria Zubair, Pierre-André Cazade, Jonathan Moffat, Tara E. Ryan, Krishna Hari, Sarah Guerin, "Rigid and electrode-compatible multicomponent organic crystals for piezoelectric energy harvesting", Journal of Materials Chemistry A, 14, 2026, 24441-24447, Source

Manoj Palabathuni, Niraj Nitish Patil, Suvodeep Sen, Geetu Kumari, Sarah Guerin, Shalini Singh, "Influence of composition–phase interplay on the electrochemical activity of ternary transition metal dichalcogenides", Nanoscale, 18, 2026, 12506-12514, Source

Durga Prasad Karothu, Ibrahim Tahir, Sanjit Manohar Majhi, Ejaz Ahmed, Luca Catalano, Niamh T. Hickey, James Weston, Sarah Guerin, Panče Naumov, "The ultrastiff crystals of mucic (galactaric) acid", Chemical Science, 17, 2026, 1831-1839, Source

Shubham Vishnoi, Sarah Guerin, "Predicting and Rationalizing Piezoelectricity in Racemic Bioorganic Molecular Crystals", Angewandte Chemie International Edition, 65, 2026, Source

Ivan Batistić, Pablo Castrillo, Philip Cardiff, "High-order cell-centred finite-volume solid mechanics using a Jacobian-free Newton-Krylov method", Journal of Computational Physics, 563, 2026, 115056, Source

Philip Cardiff, Dylan Armfield, Željko Tuković, Ivan Batistić, "A Jacobian‐Free Newton‐Krylov Method for Cell‐Centred Finite Volume Solid Mechanics", International Journal for Numerical Methods in Engineering, 127, 2026, Source

Tendai Mukande, Noel E. O Connor, "Towards Self-Evolving Knowledge Systems: Enhancing Multimodal Agentic RAG with Hyperbolic Flows", Proceedings of the 2026 International Conference on Multimedia Retrieval, , 2026, 2833-2841, Source

Tendai Mukande, Noel O'Connor, "Towards Efficient Hyperbolic Representation Learning for Recommender Systems", Proceedings of the 20th ACM Conference on Recommender Systems, , 2026, 763-768, Source

Constantinos Menelaou, Vikram Pakrashi, Frédéric Dias, "Displacement and deposition of cliff-bottom rocks using smoothed particle hydrodynamics", Physics of Fluids, 38, 2026, Source

Constantinos Menelaou, Pierre-Michel Guilcher, Frédéric Dias, "Prediction of the displacement of large rocks by waves using smoothed-particle hydrodynamics", Computers & Fluids, 314, 2026, 107080, Source

Paul F. A. Clarke, Ivan Cmelo, Runar Helin, Mayur Kishor Shende, Ole-Christoffer Granmo, Darren Fayne, "The Tsetlin Machine: A “Third Way” in QSAR Modeling", Journal of Chemical Information and Modeling, 66, 2026, 6250-6270, Source

Smit Patel, Nadia Elghobashi‐Meinhardt, "Mechanistic Basis of Cholesterol Binding and Transfer in NPC2: Insights From Molecular Dynamics Simulations", ChemBioChem, 27, 2026, Source

Judith Wurmel, John M. Simmie, "Size Matters: Barrier Heights and Widths in the Kinetics Of Tautomerisation and Rotamerisation of Thiotropolone and Its Five‐ and Three‐Membered Cyclic Analogues", International Journal of Chemical Kinetics, , 2026, Source

Judith Wurmel, John M. Simmie, "Cis – Trans Rotational Isomerism of Formic Acid, Sulfur, and Selenium Analogues and Their Dimers: Chemical Kinetics Under Interstellar Conditions", International Journal of Chemical Kinetics, , 2026, Source

Judith Wurmel, John M. Simmie, "Chemical Kinetics of 2‐, 4‐, and 2,4‐Seleno‐Uracils at Low Temperatures: Tautomerizations and Rotamerizations on Inert Matrices", International Journal of Chemical Kinetics, 58, 2026, 881-889, Source

Judith Wurmel, John M. Simmie, "Tautomerization Kinetics of Thiouracils at Low Temperatures Driven Solely by Quantum‐Mechanical Tunnelling: Predictions of Suitable Candidates for Future Experiments", International Journal of Chemical Kinetics, 58, 2026, 269-277, Source

Okan K. Orhan, Frank Daniel Bello, Nicolás Abadía, Ortwin Hess, John F. Donegan, David D. O’Regan, "Multiscale design of Au-based alloys for improved plasmon delivery and nanoheating in near-field transducers", APL Computational Physics, 2, 2026, Source

S. M. Durkan, D. Sandner, R. J. McGarry, L. Varvarezos, L. Tabrizi, J. T. Costello, M. T. Pryce, R. Kienberger, H. Iglev, "Relaxation dynamics of chromium( iii )-oxalate complexes upon excitation in the UV", Physical Chemistry Chemical Physics, 28, 2026, 20289-20303, Source

Delara Soltani, Tim Persoons, Sajad Alimohammadi, "Fluid dynamics of a microfluidic micromixer–micropump driven by adjacent micro synthetic jets", International Communications in Heat and Mass Transfer, 176, 2026, 111400, Source

Alessandro Summer, Alexander Nico-Katz, Shane Dooley, John Goold, "Anomalous transport in U(1)-symmetric quantum circuits", npj Quantum Information, 12, 2026, Source

Ling Han, Callum M. Ives, Ziyu Zhang, Duong T. Bui, Elena N. Kitova, Ojas Singh, Lara K. Mahal, Elisa Fadda, John S. Klassen, "Unraveling the Molecular Basis of Cooperativity in Cholera Toxin–Glycan Interactions", Analytical Chemistry, 98, 2026, 16863-16874, Source

Na Jin, Manting Mu, Max García‐Melchor, Eva Hevia, "Coordination‐Driven Direct C─H Metalation of N ‐Heterocycles With a Superbasic Co(II) Amide Co(TMP) 2", Angewandte Chemie International Edition, 65, 2026, Source

David Sánchez‐Roa, Sophia Belrhomari, Ana McGinley, Clevin Anto Liju, Manting Mu, Max García‐Melchor, Eva Hevia, "Deprotonative C( sp 3 )/C( sp 2 )–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP", Angewandte Chemie International Edition, 65, 2026, Source

David M. Vahey, Manting Mu, Shannon A. Bonke, Timo Sommer, Prithvi Vangal, Carl Mallia, Max García-Melchor, Erwin Reisner, "Anti-Friedel–Crafts alkylation via electron donor–acceptor photoinitiation", Nature Synthesis, 5, 2026, 871-884, Source

Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "On road determination of vehicle drag coefficient using the new constant power plate method", European Journal of Mechanics - B/Fluids, 118, 2026, 204465, Source

Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "The next generation of rear drag reduction devices for road vehicles – the multi cavity concept", Results in Engineering, 30, 2026, 110848, Source

Michael Gerard Connolly, Alojz Ivankovic, Malachy J. O’Rourke, "Aerodynamic design and CFD analysis of low drag trailers for road vehicles", Heliyon, 12, 2026, e45417, Source

Liaqat Ali, Javed Rehman, Chong-Wen Zhou, "Theoretical prediction of adsorption and diffusion of sodium on layered CoSe: A first-principles investigation", Journal of Physics and Chemistry of Solids, 215, 2026, 113682, Source

Liaqat Ali, Javed Rehman, Chong-Wen Zhou, "Unlocking the potential of a novel 2D VBC and a VBC/graphene heterostructure as efficient hosts for Li-ion batteries", Materials Advances, 7, 2026, 6297-6309, Source

Michael Sweetman, Michael Nolan, Cara-Lena Nies, "Structure and Dynamics of Co and Ru Adatoms and Nanoclusters on Tungsten Dichalcogenide Monolayers", The Journal of Physical Chemistry C, 130, 2026, 11738-11753, Source

Parisa Naeiji, Joaquín Klug, Niall J. English, "Interfacial Properties of Water on Highly Oriented Pyrolytic Graphite Trained with Machine-Learned Force Fields", The Journal of Physical Chemistry C, 130, 2026, 7720-7734, Source

Omkar V. Khare, Vivek V. Ranade, "Influence of scale on flow and cavitation characteristics of vortex-based hydrodynamic cavitation devices", Chemical Engineering Science, 331, 2026, 124032, Source

Amol Gode, Kyriakos Kourousis, Vivek V. Ranade, "Vortex-Based Cavitation Devices for Continuous Emulsification: Influence of the Device Design, Scale-Up, and Scale-Out", Industrial & Engineering Chemistry Research, 65, 2026, 8081-8101, Source

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