Complete list

Restrepo, O. A., Becquart, C. S., & Mousseau, N. (2024). Diffusion mechanisms for spinel ferrite NiFe2O4 by using kinetic activation–relaxation technique. The Journal of Chemical Physics, 161(9), 094307. https://doi.org/10.1063/5.0220397 Download

Gunde, M., Jay, A., Poberžnik, M., Salles, N., Richard, N., Landa, G., Mousseau, N., Martin-Samos, L., & Hemeryck, A. (2024). Exploring potential energy surfaces to reach saddle points above convex regions. The Journal of Chemical Physics, 160(23), 232501. https://doi.org/10.1063/5.0210097 Download

Lefèvre López, J., Mousseau, N., Adjanor, G., & Domain, C. (2024). Harmonic transition state theory applied to vacancy diffusion pre-exponential factors in a concentrated solid-solution alloy. Physical Review Materials, 8(1), 013609. https://doi.org/10.1103/PhysRevMaterials.8.013609 Download

Zhou, X., Ou, P., Mousseau, N., & Song, J. (2024). Critical assessment of hydrogen pipe diffusion at dislocations in metals. Acta Materialia, 268, 119758. https://doi.org/10.1016/j.actamat.2024.119758 Download

Restrepo, O. A., Arnache, Ó., & Mousseau, N. (2024). An approach to understanding the formation mechanism of NiFe2O4 inverse spinel. Materialia, 33, 102031. https://doi.org/10.1016/j.mtla.2024.102031 Download

Poberznik, M., Gunde, M., Salles, N., Jay, A., Hemeryck, A., Richard, N., Mousseau, N., & Martin-Samos, L. (2024). pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm. Computer Physics Communications, 295, 108961. https://doi.org/10.1016/j.cpc.2023.108961 Download

Mousseau, N. (2024). Les périls d’appliquer l’approche scientifique au quotidien. In G. Lamy (Ed.), Ce que savoir veut dire (pp. 153–160). Septentrion. Download

Langlois-Bertrand, S., & Mousseau, N. (2024). L’état de l’énergie et des émissions de GES au Canada/The State of Energy and GHG Emissions in Canada (Perspectives Énergétiques Canadiennes 3e Édition, p. 83 (fr)/ 77 (en)). Institut de l’énergie Trottier. https://iet.polymtl.ca/perspectives-energetiques/ Download Download

Khosravi, A., Song, J., & Mousseau, N. (2023). Kinetics of hydrogen and vacancy diffusion in iron: A kinetic activation relaxation technique (k-ART) study. Physical Review Materials, 7(12), 123605. https://doi.org/10.1103/PhysRevMaterials.7.123605 Download Download

Yuan, S., Liang, A., Liu, C., Tian, L., Mousseau, N., & Branicio, P. S. (2023). Effect of heat treatment paths on the aging and rejuvenation of metallic glasses. Physical Review Materials, 7(12), 123603. https://doi.org/10.1103/PhysRevMaterials.7.123603 Download

Rahman, M. M., El-Mellouhi, F., & Mousseau, N. (2023). Structural evolution of vacancy clusters in α -iron: A kinetic activation-relaxation technique study. Physical Review Materials, 7(9), 093602. https://doi.org/10.1103/PhysRevMaterials.7.093602 Download

Sanscartier, E., Saint-Denis, F., Bolduc, K.-É., & Mousseau, N. (2023). Evaluating approaches for on-the-fly machine learning interatomic potentials for activated mechanisms sampling with the activation-relaxation technique nouveau. The Journal of Chemical Physics, 158(24), 244110. https://doi.org/10.1063/5.0143211 Download Download

De Lile, J. R., & Mousseau, N. (2023). Diffusion of oxygen vacancies formed at the anatase (101) surface: An activation-relaxation technique study. Physical Review Materials, 7(3), 034602. https://doi.org/10.1103/PhysRevMaterials.7.034602 Download

Mousseau, N. (2023). L’augmentation de la production d’électricité est une priorité. Relations, hiver 2023-2024(823), 7–9. Download

Mousseau, N. (2023). Atteinte de cibles climatiques: les ajustements à la marge ne suffisent pas. In L’état du Québec 2023 (pp. 63–71). Somme Toute / Le Devoir. Download

Lévesque, C., Roorda, S., Schiettekatte, F., & Mousseau, N. (2022). Internal mechanical dissipation mechanisms in amorphous silicon. Physical Review Materials, 6(12), 123604. https://doi.org/10.1103/PhysRevMaterials.6.123604 Download Download

Lapointe, C., Swinburne, T. D., Proville, L., Becquart, C. S., Mousseau, N., & Marinica, M.-C. (2022). Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects. Physical Review Materials, 6(11), 113803. https://doi.org/10.1103/PhysRevMaterials.6.113803 Download

Bentria, E. T., Akande, S. O., Ramesh, A., Laycock, N., Hamer, W., Mousseau, N., Becquart, C., Bouhali, O., & El-Mellouhi, F. (2022). Insights on the effect of water content in carburizing gas mixtures on the metal dusting corrosion of iron. Applied Surface Science, 579, 152138. https://doi.org/10.1016/j.apsusc.2021.152138 Download

Binette, V., Mousseau, N., & Tuffery, P. (2022). A Generalized Attraction–Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction. Journal of Chemical Theory and Computation, 18, 2720−2736. https://doi.org/10.1021/acs.jctc.1c01293 Download

Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C. S., & Mousseau, N. (2022). Comparison of bulk basic properties with different existing Ni-Fe-O empirical potentials for Fe3O4 and NiFe2O4 spinel ferrites. Computational Materials Science, 213, 111653. https://doi.org/10.1016/j.commatsci.2022.111653 Download

Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C. S., & Mousseau, N. (2022). Structural modeling of ZnFe2O4 systems using Buckingham potentials with static molecular dynamics. Solid State Communications, 354, 114914. https://doi.org/10.1016/j.ssc.2022.114914 Download

Sauvé-Lacoursière, A., Gelin, S., Adjanor, G., Domain, C., & Mousseau, N. (2022). Unexpected role of prefactors in defects diffusion: the case of vacancies in the 55Fe-28Ni-17Cr concentrated solid-solution alloys. Acta Materialia, 237, 118153. https://doi.org/10.1016/j.actamat.2022.118153 Download

Jay, A., Gunde, M., Salles, N., Poberžnik, M., Martin-Samos, L., Richard, N., Gironcoli, S. de, Mousseau, N., & Hémeryck, A. (2022). Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces. Computational Materials Science, 209, 111363. https://doi.org/10.1016/j.commatsci.2022.111363 Download

Langlois-Bertrand, S., & Mousseau, N. (2022). Plan pour la carboneutralité au Québec – Trajectoires 2050 et propositions d’actions à court terme (p. 25). Institut de l’énergie Trottier. https://iet.polymtl.ca/publications/plan-carboneutralite-quebec-trajectoires-2050-propositions-actions-court-terme/ Download

Trépanier, M., Morency, C., Boukelouha, R., Freijinger, E., Mousseau, N., & Maia de Souza, D. (2022). Une Chaire québécoise dédiée à la transformation des transports. Routes et Transport, 51(2), 73–77. Download

Edom, E., Langlois-Bertrand, S., & Mousseau, N. (2022). Une perspective stratégique pour le secteur de l’électricité dans le centre et l’est du Canada/ A Strategic Perspective on Electricity in Central and Eastern Canada (p. 72/62). Institut de l’énergie Trottier. Download Download

Mousseau, N., Langlois-Bertrand, S., & Beaumier, L. (2022). Quand la carboneutralité change tout. Le Climatoscope, 4, 8–11. Download

Sani, S. A., Maroufmashat, A., Babonneau, F., Bahn, O., Delage, E., Haurie, A., Mousseau, N., & Vaillancourt, K. (2022). Energy Transition Pathways for Deep Decarbonization of the Greater Montreal Region: An Energy Optimization Framework. Energies, 15, 3760. https://doi.org/10.3390/en15103760 Download

Côté, S., Bouilly, D., & Mousseau, N. (2022). The molecular origin of the electrostatic gating of single-molecule field-effect biosensors investigated by molecular dynamics simulations. Physical Chemistry Chemical Physics, 24(7), 4174–4186. https://doi.org/10.1039/D1CP04626H Download

Pedroli, F., Mousseau, N., & Girard, A. (2022). Gestion des halocarbures au Québec. (Accélérateur de transition, Vol. 4). Download

Pedroli, F., & Mousseau, N. (2022). Enjeux leviers et freins de la décarbonation des bâtiments commerciaux et institutionnels au Québec (No. V. 4 $1; Transition Accelerator Reports, p. 31). Download

Langlois-Bertrand, S., & Mousseau, N. (2022). Plan de réduction des émissions 2030: la proposition de l’IET, Institut de l’énergie Trottier/Canada’s 2030 Emissions Reduction Plan: the IET proposal. Institut de l’énergie Trottier. https://iet.polymtl.ca/publications/plan-reduction-emissions-2030-canada-proposition-iet/ Download Download

Haddad, M., Gaudreault, R., Sasseville, G., Nguyen, P. T., Wiebe, H., Van De Ven, T., Bourgault, S., Mousseau, N., & Ramassamy, C. (2022). Molecular Interactions of Tannic Acid with Proteins Associated with SARS-CoV-2 Infectivity. International Journal of Molecular Sciences, 23(5). https://doi.org/10.3390/ijms23052643 Download

Langlois-Bertrand, S., Vaillancourt, K., Pied, M., Bahn, O., & Mousseau, N. (2021). Perspectives énergétiques canadienne 2021 - horizon 2060/Canadian Energy Outlook 2021 — Horizon 2060 (Perspectives énergétiques canadiennes/Canadian Energy Outlooks, p. 262/251). Institut de L’énergie Trottier. https://iet.polymtl.ca/en/energy-outlook/

Langlois-Bertrand, S., Mousseau, N., & Beaumier, L. (2021). Cap sur la carboneutralité : le jalon 2030/ On the way to net-zero: the 2030 milestone (p. 26/23). Institut de l’énergie Trottier. https://iet.polymtl.ca/publications/cap-sur-la-carboneutralite-le-jalon-2030/

Rahman, M. M., El-Mellouhi, F., Bouhali, O., Becquart, C. S., & Mousseau, N. (2021). Pressure effect on diffusion of carbon at the 85.91 ⟨100⟩ symmetric tilt grain boundary of α-iron. Physical Review Materials, 5(4), 043605. https://doi.org/10.1103/PhysRevMaterials.5.043605 Download

Mahmoud, S., Carrez, P., Landeiro Dos Reis, M., Mousseau, N., & Cordier, P. (2021). Diffusion mechanism of bound Schottky defect in magnesium oxide. Physical Review Materials, 5(3), 033609. https://doi.org/10.1103/PhysRevMaterials.5.033609 Download

Candela, R., Gelin, S., Mousseau, N., Veiga, R. G. A., Domain, C., Perez, M., & Becquart, C. S. (2021). Investigating the kinetics of the formation of a C Cottrell atmosphere around a screw dislocation in bcc iron: a mixed-lattice atomistic kinetic Monte-Carlo analysis. Journal of Physics: Condensed Matter, 33(6), 065704. https://doi.org/10.1088/1361-648x/abc6c3 Download

Gaudreault, R., Hervé, V., van de Ven, T. G. M., Mousseau, N., & Ramassamy, C. (2021). Polyphenol-Peptide Interactions in Mitigation of Alzheimer’s Disease: Role of Biosurface-Induced Aggregation. Journal of Alzheimer’s Disease, 81, 33–55. https://doi.org/10.3233/JAD-201549 Download

Binette, V., Côté, S., Haddad, M., Nguyen, P. T., Bélanger, S., Bourgault, S., Ramassamy, C., Gaudreault, R., & Mousseau, N. (2021). Corilagin and 1,3,6-Tri- -galloy-β-d-glucose: potential inhibitors of SARS-CoV-2 variants. Physical Chemistry Chemical Physics, 23(27), 14873–14888. https://doi.org/10.1039/D1CP01790J Download

Tang, L., Liu, H., Ma, G., Du, T., Mousseau, N., Zhou, W., & Bauchy, M. (2021). The energy landscape governs ductility in disordered materials. Materials Horizons, 10.1039.D0MH00980F. https://doi.org/10.1039/D0MH00980F Download

Becquart, C. S., Mousseau, N., & Domain, C. (2020). 1.24 - Kinetic Monte Carlo Simulations of Irradiation Effects. In R. J. M. Konings & R. E. Stoller (Eds.), Comprehensive Nuclear Materials (Second Edition) (pp. 754–778). Elsevier. http://www.sciencedirect.com/science/article/pii/B9780128035818116856 Download

Bentria, E. T., Akande, S. O., Becquart, C. S., Mousseau, N., Bouhali, O., & El-Mellouhi, F. (2020). Capturing the Iron Carburization Mechanisms from the Surface to Bulk. The Journal of Physical Chemistry C, 124(52), 28569–28579. https://doi.org/10.1021/acs.jpcc.0c09001 Download

Moitzi, F., Şopu, D., Holec, D., Perera, D., Mousseau, N., & Eckert, J. (2020). Chemical bonding effects on the brittle-to-ductile transition in metallic glasses. Acta Materialia, 188, 273–281. https://doi.org/10.1016/j.actamat.2020.02.002 Download

Gelin, S., Champagne-Ruel, A., & Mousseau, N. (2020). Enthalpy-entropy compensation of atomic diffusion originates from softening of low frequency phonons. Nature Communications, 11(1), 3977. https://doi.org/10.1038/s41467-020-17812-2 Download

Machado-Charry, E., González, C., Dappe, Y. J., Magaud, L., Mousseau, N., & Pochet, P. (2020). Order and disorder at the C-face of SiC: A hybrid surface reconstruction. Applied Physics Letters, 116(14), 141605. https://doi.org/10.1063/1.5143010 Download

Şopu, D., Moitzi, F., Mousseau, N., & Eckert, J. (2020). An atomic-level perspective of shear band formation and interaction in monolithic metallic glasses. Applied Materials Today, 21, 100828. https://doi.org/10.1016/j.apmt.2020.100828 Download

Trochet, M., Mousseau, N., Béland, L. K., & Henkelman, G. (2020). Off-Lattice Kinetic Monte Carlo Methods. In W. Andreoni & S. Yip (Eds.), Handbook of Materials Modeling : Methods: Theory and Modeling (pp. 1–29). Springer International Publishing. https://doi.org/10.1007/978-3-319-42913-7_29-1 Download

Jay, A., Huet, C., Salles, N., Gunde, M., Martin-Samos, L., Richard, N., Landa, G., Goiffon, V., de Gironcoli, S., Hemeryck, A., & Mousseau, N. (2020). Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches. Journal of Chemical Theory and Computation, 16(10), 6726–6734. https://doi.org/10.1021/acs.jctc.0c00541 Download

Mousseau, N. (2020). Fausses science; science bidon : le rôle de la communauté scientifique dans la propagation de ces idées. La Physique Au Canada/Physics in Canada, 76(1), 15–17. Download