Dr Mohammed Reza Ghaani

• Bernardi M, Ghaani MR, Bayazeid O, Phenylethanoid glycosides as a possible COVID-19 protease inhibitor: a virtual screening approach., Journal of molecular modeling, 2021Journal Article, 2021, DOI
• Krishnan Y, Ghaani MR, English NJ, Hydrogen and Deuterium Molecular Escape from Clathrate Hydrates: "Leaky" Microsecond-Molecular-Dynamics Predictions., The journal of physical chemistry. C, Nanomaterials and interfaces, 2021Journal Article, 2021, DOI
• Bernardi M, Ghaani MR, Bayazeid O, Phenylethanoid glycosides as a possible COVID-19 protease inhibitor: a virtual screening approach, 2021Journal Article, 2021, DOI
• Mohammad Reza Ghaani and Judith M. Schicks and Niall J. English, A Review of Reactor Designs for Hydrogen Storage in Clathrate Hydrates, Applied Sciences, 11, (2), 2021, p469Journal Article, 2021, DOI
• , A comprehensive review on the application of aerogels in CO2-adsorption: Materials and characterisation, Chemical Engineering Journal, 2021Journal Article, 2021, DOI
• Yogeshwaran Krishnan and Mohammad Reza Ghaani and Arnaud Desmedt and Niall J. English, Hydrogen Inter-Cage Hopping and Cage Occupancies inside Hydrogen Hydrate: Molecular-Dynamics Analysis, Applied Sciences, 11, (1), 2020, p282Journal Article, 2020, DOI
• Mohammad Reza Ghaani and Mario Bernardi and Niall J. English, Crystallisation competition between cubic and hexagonal ice structures: molecular-dynamics insight, Molecular Simulation, 2020, p1--9Journal Article, 2020, DOI
• Stephanie J. Boyd and Yogeshwaran Krishnan and Mohammad Reza Ghaani and Niall J. English, Influence of external static and alternating electric fields on self-diffusion of water from molecular dynamics, Journal of Molecular Liquids, 2020, p114788Journal Article, 2020, DOI
• Ghaani, M.R., Catti, M., Correction to: Dehydrogenation properties of the LiNH₂BH₃/MgH₂ and LiNH₂BH₃/LiBH₄ bi-component hydride systems for hydrogen storage applications (Materials for Renewable and Sustainable Energy, (2018), 7, 4, (26), 10.1007/s40243-018-0133-9), Materials for Renewable and Sustainable Energy, 8, (4), 2019Journal Article, 2019, DOI
• Krishnan, Y., Ghaani, M.R., English, N.J., Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates, Journal of Physical Chemistry C, 2019Journal Article, 2019, DOI
• English, N.J., Ghaani, M.R., Hybrid versus global thermostatting in molecular-dynamics simulation of methane-hydrate crystallisation, Chinese Journal of Chemical Engineering, 27, (9), 2019, p2180-2188Journal Article, 2019, DOI
• Ghaani, M.R., English, N.J., Hydrogen-/propane-hydrate decomposition: thermodynamic and kinetic analysis, Molecular Physics, 117, (18), 2019, p2434-2442Journal Article, 2019, DOI
• Ghaani, M.R., Catti, M., Investigation on the kinetic mechanism of the reduction of Fe₂O₃/CoO-decorated carbon xerogels: A non-isothermal study, Journal of Solid State Chemistry, 277, 2019, p368-375Journal Article, 2019, DOI
• Bernardi, M., Ghaani, M.R., English, N.J., Ionic conductivity along transmembrane-electropores in human aquaporin 4: calcium effects from non-equilibrium molecular dynamics, Molecular Physics, 117, (23-24), 2019, p3783-3790Journal Article, 2019, DOI
• Alam, M., Mirbagheri, S.A., Ghaani, M.R., Multi-parameter optimization of the capacitance of Carbon Xerogel catalyzed by NaOH for application in supercapacitors and capacitive deionization systems, Heliyon, 5, (2), 2019Journal Article, 2019, DOI
• Alam, M., Sadrnejad, S.A., Ghaani, M.R., Performance evaluation of optimized carbon xerogel electrode in desalination through flow-electrode capacitive deionization: Capacitance optimization by response surface methodology, Desalination and Water Treatment, 145, 2019, p57-69Journal Article, 2019, DOI
• Ghaani, M.R., Catti, M., Dehydrogenation properties of the LiNH₂BH₃/MgH₂ and LiNH₂BH₃/LiBH₄ bi-component hydride systems for hydrogen storage applications, Materials for Renewable and Sustainable Energy, 7, (4), 2018Journal Article, 2018, DOI
• Ghaani, M., Rovera, C., Pucillo, F., Ghaani, M.R., Olsson, R.T., Scampicchio, M., Farris, S., Determination of 2,4-diaminotoluene by a bionanocomposite modified glassy carbon electrode, Sensors and Actuators, B: Chemical, 277, 2018, p477-483Journal Article, 2018, DOI
• Bernardi, M., Marracino, P., Ghaani, M.R., Liberti, M., Del Signore, F., Burnham, C.J., Gárate, J.-A., Apollonio, F., English, N.J., Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study, Journal of Chemical Physics, 149, (24), 2018Journal Article, 2018, DOI
• Ghaani, M.R., Marashi, P., L16 orthogonal design synthesis of NASICON-type li _1.4 al _0.4 ti _1.6 (PO ₄ ) ₃ solid electrolyte by pechini method for process optimization, Iranian Journal of Materials Science and Engineering, 15, (3), 2018, p60-71Journal Article, 2018, DOI
• Ghaani, M.R., English, N.J., Molecular Dynamics Study of Propane Hydrate Dissociation: Nonequilibrium Analysis in Externally Applied Electric Fields, Journal of Physical Chemistry C, 122, (13), 2018, p7504-7515Journal Article, 2018, DOI
• Ghaani, M.R., English, N.J., Molecular-dynamics study of propane-hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis, Journal of Chemical Physics, 148, (11), 2018Journal Article, 2018, DOI
• Keshavarz, L., Ghaani, M.R., English, N.J., Thermodynamic evaluation of inhibitors for methane-hydrate formation, Fuel, 324, 2022Journal Article, 2022, DOI
• Ghaani, M.R., Schicks, J.M., English, N.J., A review of reactor designs for hydrogen storage in clathrate hydrates, Applied Sciences (Switzerland), 11, (2), 2021, p1-16Journal Article, 2021, DOI
• Ghaani, M.R., Catti, M., English, N.J., In situ synchrotron x-ray diffraction studies of hydrogen-desorption properties of 2libh₄"mg₂feh₆ composite, Molecules, 26, (16), 2021Journal Article, 2021, DOI
• Ghaani, M.R., Young, J.M., Nandi, P.K., Dandare, S., Allen, C.C.R., English, N.J., Microbial stabilisation and kinetic enhancement of marine methane hydrates in both deionised- and sea-water, Petroleum, 7, (4), 2021, p402-406Journal Article, 2021, DOI
• Keshavarz, L., Ghaani, M.R., English, N.J., The importance of precursors and modification groups of aerogels in CO₂ capture, Molecules, 26, (16), 2021Journal Article, 2021, DOI
• Ghaani, M.R., Mohtasebi, A.M., Tajeri, R., Marashi, P., A comparison of the role of the chelating agent on the structure of lithium conducting solid electrolyte li_1.4al_0.4ti_1.6(po₄)₃: Pechini vs. modified pechini-type methods, Batteries, 6, (4), 2020, p1-13Journal Article, 2020, DOI
• Aghamolaei, R., Ghaani, M.R., Balancing the impacts of energy efficiency strategies on comfort quality of interior places: Application of optimization algorithms in domestic housing, Journal of Building Engineering, 29, 2020Journal Article, 2020, DOI
• Ghaani, M.R., Allen, C.C.R., Skvortsov, T., English, N.J., Engineering Peptides to Catalyze and Control Stabilization of Gas Hydrates: Learning from Nature, Journal of Physical Chemistry Letters, 11, (13), 2020, p5068-5075Journal Article, 2020, DOI
• Yazdanparast, S., Benvidi, A., Azimzadeh, M., Tezerjani, M.D., Ghaani, M.R., Experimental and theoretical study for miR-155 detection through resveratrol interaction with nucleic acids using magnetic core-shell nanoparticles, Microchimica Acta, 187, (8), 2020Journal Article, 2020, DOI
• Ghaani, M.R., Takeya, S., English, N.J., Hydrogen storage in propane-hydrate: Theoretical and experimental study, Applied Sciences (Switzerland), 10, (24), 2020, p1-10Journal Article, 2020, DOI
• Ghaani, M.R., English, N.J., Kinetic study on electro-nucleation of water in a heterogeneous propane nano-bubble system to form polycrystalline ice i _c , Journal of Chemical Physics, 153, (8), 2020Journal Article, 2020, DOI
• Saba Afza, Hamid Esfahani, Alireza Nourian, Mohammad Reza Ghaani, A novel approach to bio-mineralization of electrospun PCL scaffolds by protein and hydroxyapatite nanoparticles; molecular dynamics simulation and in-vitro evaluation, European Polymer Journal, 182, 2023, p111739Journal Article, 2023, DOI
• Khosravi, F., Rahaie, M., Ghaani, M.R., Azimzadeh, M., Mostafavi, E., Ultrasensitive electrochemical miR-155 nanocomposite biosensor based on functionalized/conjugated graphene materials and gold nanostars, Sensors and Actuators B: Chemical, 375, 2023Journal Article, 2023, DOI
• Application of Porous Ceramics in, 2022, pp499-537 , [Saremi, O., Ghaani, M.R., Keshavarz, L., English, N.J.]Book Chapter, 2022, DOI
• Characterization of Nanoporous Materials in, 2022, pp319-351 , [Keshavarz, L., Ghaani, M.R., Saremi, O., English, N.J.]Book Chapter, 2022, DOI
• Krishnan, Y., Rosingana, P.G., Ghaani, M.R., English, N.J., Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: Molecular engineering: Via microsecond non-equilibrium molecular dynamics, RSC Advances, 12, (7), 2022, p4370-4376Journal Article, 2022, DOI
• Lauricella, M., Ghaani, M.R., Nandi, P.K., Meloni, S., Kvamme, B., English, N.J., Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation, Journal of Physical Chemistry C, 126, (13), 2022, p6075-6081Journal Article, 2022, DOI
• Wu, H., Ghaani, M.R., Futera, Z., English, N.J., Effects of Externally Applied Electric Fields on the Manipulation of Solvated-Chignolin Folding: Static- versus Alternating-Field Dichotomy at Play, Journal of Physical Chemistry B, 126, (2), 2022, p376-386Journal Article, 2022, DOI
• Wu, H., Ghaani, M.R., Nandi, P.K., English, N.J., Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics, Journal of Physical Chemistry B, 126, (4), 2022, p858-868Journal Article, 2022, DOI
• Davarani Asl, F., Mousazadeh, M., Azimzadeh, M., Ghaani, M.R., Mesoporous selenium nanoparticles for therapeutic goals: a review, Journal of Nanoparticle Research, 24, (10), 2022Journal Article, 2022, DOI
• , Hydrogen-/propane-hydrate decomposition: thermodynamic and kinetic analysis, Molecular Physics, 2019Journal Article, 2019, DOI
• , Multi-parameter optimization of the capacitance of Carbon Xerogel catalyzed by NaOH for application in supercapacitors and capacitive deionization systems, Heliyon, 2019Journal Article, 2019, DOI
• , Performance evaluation of optimized carbon xerogel electrode in desalination through flow-electrode capacitive deionization: Capacitance optimization by response surface methodology, Desalination and Water Treatment, 2019Journal Article, 2019, DOI
• , Molecular Dynamics Study of Propane Hydrate Dissociation: Nonequilibrium Analysis in Externally Applied Electric Fields, The Journal of Physical Chemistry C, 2018Journal Article, 2018, DOI
• , Molecular-dynamics study of propane-hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis, The Journal of Chemical Physics, 2018Journal Article, 2018, DOI
• Rovera C, Cozzolino CA, Ghaani M, Morrone D, Olsson RT, Farris S, Mechanical behavior of biopolymer composite coatings on plastic films by depth-sensing indentation - A nanoscale study., Journal of colloid and interface science, 2017Journal Article, 2017, DOI
• Uysal Unalan I, Boyac" D, Ghaani M, Trabattoni S, Farris S, Graphene Oxide Bionanocomposite Coatings with High Oxygen Barrier Properties. , Nanomaterials (Basel, Switzerland), 2016Journal Article, 2016, DOI
• HaoLun Wu and Mohammad Reza Ghaani and Prithwish K. Nandi and Niall J. English, Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics, The Journal of Physical Chemistry B, 126, (4), 2022, p858--868Journal Article, 2022, DOI
• Ghaani M, Büyükta" D, Carullo D, Farris S, Development of a New Electrochemical Sensor Based on Molecularly Imprinted Biopolymer for Determination of 4,4'-Methylene Diphenyl Diamine., Sensors (Basel, Switzerland), 2022Journal Article, 2022, DOI
• Lauricella M, Ghaani MR, Nandi PK, Meloni S, Kvamme B, English NJ, Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation., The journal of physical chemistry. C, Nanomaterials and interfaces, 2022Journal Article, 2022, DOI
• HaoLun Wu and Mohammad Reza Ghaani and Zden{\v{e, Effects of Externally Applied Electric Fields on the Manipulation of Solvated-Chignolin Folding: Static- versus Alternating-Field Dichotomy at Play, The Journal of Physical Chemistry B, 126, (2), 2022, p376--386Journal Article, 2022, DOI
• Yogeshwaran Krishnan and Patricia Gomez Rosingana and Mohammad Reza Ghaani and Niall J. English, Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: molecular engineering via microsecond non-equilibrium molecular dynamics, RSC Advances, 12, (7), 2022, p4370--4376Journal Article, 2022, DOI
• Ghaani, M.R., English, N.J., Allen, C.C.R., Magnetic-Field Manipulation of Naturally Occurring Microbial Chiral Peptides to Regulate Gas-Hydrate Formation, Journal of Physical Chemistry Letters, 11, (21), 2020, p9079-9085Journal Article, 2020, DOI
• Ghaani, M.R., Kusalik, P.G., English, N.J., Massive generation of metastable bulk nanobubbles in water by external electric fields, Science Advances, 6, (14), 2020Journal Article, 2020, DOI
• Ghaani, M.R., Allen, C.C.R., Young, J.M., Nandi, P.K., Dandare, S.U., Skvortsov, T., English, N.J., Microbial Stabilization and Kinetic Enhancement of Marine Methane Hydrates, Geomicrobiology Journal, 37, (3), 2020, p279-286Journal Article, 2020, DOI
• Aghamolaei, R., Ghaani, M.R., Tahsildoost, M., Zandi, M., A comprehensive energy-oriented approach for optimization of solar potential in urban contexts: an application study for residential districts, Advances in Building Energy Research, 13, (2), 2019, p205-219Journal Article, 2019, DOI
• Melgar, D., Ghaani, M.R., Lauricella, M., O'Brien, G.S., English, N.J., Acoustic-propagation properties of methane clathrate hydrates from non-equilibrium molecular dynamics, Journal of Chemical Physics, 151, (14), 2019Journal Article, 2019, DOI
• Ghaani, M.R., English, N.J., Non-equilibrium molecular-dynamics study of electromagnetic-field-induced propane-hydrate dissociation, Journal of Chemical Physics, 149, (12), 2018Journal Article, 2018, DOI
• Guo, Q., Ghaani, M.R., Nandi, P.K., English, N.J., Pressure-Induced Densification of Ice I_h under Triaxial Mechanical Compression: Dissociation versus Retention of Crystallinity for Intermediate States in Atomistic and Coarse-Grained Water Models, Journal of Physical Chemistry Letters, 9, (18), 2018, p5267-5274Journal Article, 2018, DOI
• Ghaani M, Carlo A. Cozzolino, Giulia Castelli, Stefano Farris, An overview of the intelligent packaging technologies in the food sector, Trends in food science & technology., 2016Journal Article, 2016, DOI
• Catti, M., Ghaani, M.R., On the lithiation reaction of niobium oxide: Structural and electronic properties of Li1.714Nb2O5, Physical Chemistry Chemical Physics, 16, (4), 2014, p1385-1392Journal Article, 2014, DOI
• Catti, M., Ghaani, M.R., Pinus, I., Overpressure role in isothermal kinetics of H₂ desorption-absorption: The 2LiBH₄-Mg₂FeH₆ system, Journal of Physical Chemistry C, 117, (50), 2013, p26460-26465Journal Article, 2013, DOI
• , Reactions of the 2LiBH$\sb 4$--Mg$\sb 2$FeH$\sb 6$ assemblage for hydrogen storage, Acta Crystallographica Section A, 2012Journal Article, 2012, DOI
• Ejehi, F., Marashi, S.P.H., Ghaani, M.R., Haghshenas, D.F., The synthesis of NaSICON-type ZrNb(PO ₄) ₃ structure by the use of Pechini method, Ceramics International, 38, (8), 2012, p6857-6863Journal Article, 2012, DOI
• Ghaani, M.R., Catti, M., Nale, A., Thermodynamics of dehydrogenation of the 2LiBH₄-Mg ₂FeH₆ composite, Journal of Physical Chemistry C, 116, (51), 2012, p26694-26699Journal Article, 2012, DOI
• Ghaani Mohammad R., Alam Mahdi, Catti Michele, English Niall J., In Situ Formation of Metal Hydrides Inside Carbon Aerogel Frameworks for Hydrogen Storage Applications, C, 6, (2), 2020Journal Article, 2020, DOI
• Ghaani Mohammad R., Catti Michele, English Niall J., In Situ Synchrotron X-ray Diffraction Studies of Hydrogen-Desorption Properties of 2LiBH4â€"Mg2FeH6 Composite, Molecules, 26, (16), 2021Journal Article, 2021, DOI
• Dunne H, Liu W, Ghaani M.R, McKelvey K, Dooley S, Sensitivity Analysis of One-Dimensional Multiphysics Simulation of CO2 Electrolysis Cell, Journal of Physical Chemistry C, 128, (27), 2024, p11131 - 11144Journal Article, 2024
• Mannion L.A, Bell A, Watson-Murphy T, Kelly M, Ghaani M.R, Dooley S, A physics constrained methodology for the life cycle assessment of sustainable aviation fuel production, Biomass and Bioenergy, 185, 2024Journal Article, 2024
• McNamara C, O†Shea A, Rao P, Ure A, Ayarde-Henríquez L, Ghaani M.R, Ross A, Dooley S, Steady states and kinetic modelling of the acid-catalysed ethanolysis of glucose, cellulose, and corn cob to ethyl levulinate, Energy Advances, 3, (6), 2024, p1439 - 1458Journal Article, 2024
• Liu W, Dunne H, Ballotta B, Massie A.A, Ghaani M.R, McKelvey K, Dooley S, CO2 Loss into Solution: An Experimental Investigation of CO2 Electrolysis with a Membrane Electrode Assembly Cell, ACS Applied Energy Materials, 2024Journal Article, 2024

• Jacopo Lupi, Mark Kelly, Ailis O'Shea, Mohammad Reza Ghaani, Stephen Dooley, Quantum Chemical Modelling of Hemicellulose Fast Pyrolysis: ß-D-xylopyranose as a Structural Motif, 2023Journal Article, DOI
• Mohammad Reza Ghaani, Study of new materials and their functionality for hydrogen storage and other energy applications, University of Milano Bicocca, 2014Thesis
• M.R. Ghaani, N.J. English, C.C.R Allen, 'A method of altering gas-hydrate formation', FRKelly, 2018, 22 November 2023Patent
• M.R. Ghaani and N.J. English, 'A System and method for the treatment of biogas and wastewater', FRKelly, 2020, 22 November 2023Patent
• M.R. Ghaani and N.J. English, 'A system, method and generator for generating nanobubbles or nanodroplets', FRKelly, 2018, 22 November 2023Patent
• M.R. Ghaani and N.J. English, 'Method and generator for generating nanobubbles or nanodroplets at ambient condition', FRKelly, 2019, 22 November 2023Patent

Electrical engineering, electronic engineering, information engineering,

• 'One to Watch Award' at Enterprise Ireland's 2022 Big Ideas 2022
• 2020 IChemE Global Award 2020
• 1st ranked grade A lecturer from Iranian Nanotechnology Initiative Council 2015
• EUROPEAN DOCTORATE in materials science by PCAM 2014

• Ryanair Sustainable Aviation Research Centre
• Iran's National Elites Foundation, Tehran, IR
• American Chemical Society, D.C., US
• Trinity Research Centre in Low Carbon Technologies, Dublin, IE

• Guest Editor Invited to be as guest editor for a special issue of Low-Carbon Energy systems for Process Journal (2023-2024, with Dr Reihaneh Aghamolaei, DCU)