Publications

• Guerra, A.; Wang, Z.; Mathews, S.; Rey, A. D.; France, K. D. Periodic Feature Characterization in Nanostructured Surfaces and Emulsions. arXiv May 7, 2025. 10.48550/arXiv.2505.04057.
• Mathews, S.; Zhu, X.; Guerra, A.; Servio, P.; Rey, A. Geometric Characterizations of Non-Uniform Structure I Methane Hydrate Behaviors Under Pressure. Crystals 2025, 15 (6), 518. 10.3390/cryst15060518.
• Mathews, S.; Servio, P.; Rey, A. Multiscale Interfacial Structure and Organization of sII Gas Hydrate Interfaces Using Molecular Dynamics. Nanomaterials 2025, 15 (6), 464. 10.3390/nano15060464.
• Mathews, S.; Xu, Z.; Servio, P.; Rey, A. Modeling the Effect of Backbone Instabilities and Guest Occupancies on Interfacial and Structural Processes and Dynamics of sII Gas Hydrate Systems Using Molecular Dynamics. In Proceedings of the 16th World Congress on Computational Mechanics and 4th Pan American Congress on Computational Mechanics; Scipedia: Vancouver, Canada, 2024. 10.23967/wccm.2024.097
• Mathews, S.; Guerra, A.; Servio, P.; Rey, A. Molecular Dynamics Characterization of the Interfacial Structure and Forces of the Methane-Ethane sII Gas Hydrate Interface. Colloid and Interface Science Communications 2024, 62, 100800. 10.1016/j.colcom.2024.100800.
• Guerra, A.; Mathews, S.; Su, J. T.; Marić, M.; Servio, P.; Rey, A. D. Molecular Dynamics Predictions of Transport Properties for Carbon Dioxide Hydrates under Pre-Nucleation Conditions Using TIP4P/Ice Water and EPM2, TraPPE, and Zhang Carbon Dioxide Potentials. Journal of Molecular Liquids 2023, 379, 121674. 10.1016/j.molliq.2023.121674.
• Guerra, A.; Mathews, S.; Marić, M.; Servio, P.; Rey, A. D. All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model. Molecules 2022, 27 (15), 5019. 10.3390/molecules27155019.
• Mathews, S.; Daghash, S.; Rey, A.; Servio, P. Recent Advances in Density Functional Theory and Molecular Dynamics Simulation of Mechanical, Interfacial, and Thermal Properties of Natural Gas Hydrates in Canada. The Canadian Journal of Chemical Engineering 2022, 100 (9), 2557–2571. 10.1002/cjce.24516.
• Guerra, A.; Mathews, S.; Marić, M.; Rey, A. D.; Servio, P. An Integrated Experimental and Computational Platform to Explore Gas Hydrate Promotion, Inhibition, Rheology, and Mechanical Properties at McGill University: A Review. Energies 2022, 15 (15), 5532. 10.3390/en15155532.
• Mathews, S. L.; Servio, P. D.; Rey, A. D. Heat Capacity, Thermal Expansion Coefficient, and Grüneisen Parameter of CH₄, CO₂, and C₂H₆ Hydrates and Ice Iₕ via Density Functional Theory and Phonon Calculations. Crystal Growth & Design 2020, 20 (9), 5947–5955. 10.1021/acs.cgd.0c00630.