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Journal of Chemical Theory and Computation|February 25, 2025
Machine Learning Force Field for Optimization of Isolated and Supported Transition Metal ParticlesAlexandre Boucher, Cameron Beevers, Bertrand Gauthier, et al.Physical Chemistry Chemical Physics : PCCP|December 21, 2022
Toward a new definition of surface energy for late transition metalsAlexandre Boucher, Glenn Jones, Alberto RoldanThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|April 8, 2021
DFT-Assisted Spectroscopic Studies on the Coordination of Small Ligands to Palladium: From Isolated Ions to NanoparticlesSebastiano Campisi, Cameron Beevers, Ali Nasrallah, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 8, 2021
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT StudyFabian Morteo-Flores, Alberto RoldanLa Matematica|June 15, 2026
Rescaling and Asymptotic Acceleration in Unconstrained Quadratic OptimisationAlexandra Zverovich, Matthew Hutchings, Bertrand GauthierPhysical Chemistry Chemical Physics : PCCP|August 30, 2019
The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT studyJulien Engel, Samantha Francis, Alberto RoldanPhysical Chemistry Chemical Physics : PCCP|January 18, 2019
A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe<sub>3</sub>S<sub>4</sub>{111} surfaceAlberto Roldan, Nora H de LeeuwPhysical Chemistry Chemical Physics : PCCP|April 27, 2017
A kinetic model of water adsorption, clustering and dissociation on the Fe<sub>3</sub>S<sub>4</sub>{001} surfaceAlberto Roldan, Nora H de LeeuwFaraday Discussions|February 10, 2017
Selective hydrogenation of CO on Fe<sub>3</sub>S<sub>4</sub>{111}: a computational studyAlberto Roldan, Nora H de LeeuwJournal of Safety Research|August 22, 2014
Costs of occupational injuries and diseases in QuébecMartin Lebeau, Patrice Duguay, Alexandre BoucherPageof 7