Geza Joos
Geza Joos
McGill
Geza Joos (M.Eng., Ph.D, McGill University, Canada) is a Professor of Electrical and Computer Engineering...
Gilles Bourque
Research Interests:
Gilles Bourque
McGill
Research Interests: Uncertainty Quantification Gas Turbines Combustion Technology
Gabriel Antonius
High-precision calculations of electronic structures
Ab initio (first-principles) calculations involve simulating the atoms and electrons that make up a material and solving the equations of quantum mechanics to predict all its physical properties. These calculations are based on density functional theory (DFT), which allows us to calculate the energy of a system in its ground state as well as the wave function of the electrons. We use DFT to predict the structural parameters of a molecule or material, as well as the energy associated with a chemical reaction or the formation of a material.
Other, more advanced techniques allow for a better description of electron energy levels or a material’s response to an external perturbation. For example, the GW method can predict the energy required to add or remove an electron from a system, and the BSE method can calculate the optical properties of materials.
Energy-efficient materials for a sustainable future
The production and storage of renewable energy is one of the greatest challenges to overcome in addressing the climate crisis. Hydrogen is a particularly suitable energy carrier for green energy. The electrolysis process converts electrical power into chemical energy by separating water molecules into oxygen and hydrogen gas. The hydrogen is then converted into electricity in a fuel cell, and can thus power an electric car.
My research team develops innovative materials to support hydrogen technologies. This includes molecular or solid catalysts for hydrogen production and energy conversion, metal hydrides for hydrogen storage, and electrode materials for electricity storage in batteries or supercapacitors.
Electron-phonon coupling
Phonons describe the vibrational modes of atoms in a solid and are, in a sense, sound particles or quanta of vibration. When electrons move through a solid, they collide with phonons, and this process is at the heart of many phenomena, such as electrical resistivity, superconductivity, and the change in optical properties with temperature. We study these phenomena by ab initio calculation using perturbative density functional theory (PDFT).
Gabriel Antonius
UQTR
High-precision calculations of electronic structures Ab initio (first-principles) calculations involve simulating the atoms and electrons...
Gaixia Zhang
Gaixia Zhang holds the Marcelle-Gauvreau Research Chair in Engineering at the École de technologie supérieure (ÉTS), Montreal, Canada. She received her Ph.D. from Polytechnique Montréal and then continued her research at Western University and INRS, Canada. His research interests focus on advanced materials (catalysts, electrodes, and electrolytes) for sustainable energy devices and systems, including batteries, fuel cells, green hydrogen production, andCO2 reduction. She is also interested in interface and device engineering, as well as in-situ characterizations and theoretical simulations. She has published over 150 peer-reviewed articles in leading journals, including Nature Sustainability, Energy Environmental Science, Advanced Materials, Advanced Energy Materials, Angew. Chim. Int. Ed., ACS Energy Letters, and more. She is the author of 10 book chapters and holds 4 U.S. patents (along with industry) related to batteries and fuel cells. She is among the top 2% of scientists in the world.
Gaixia Zhang is a Marcelle-Gauvreau Engineering Research Chair Professor at École de Technologie Supérieure (ÉTS), Montreal, Canada. She received her Ph.D. degree from Polytechnique Montréal, and then continued her research at Western University and INRS, Canada. Her research interests focus on Advanced Materials (catalysts, electrodes, and electrolytes) for Sustainable Energy Devices and Systems, including batteries, fuel cells, hydrogen production, and CO2 reduction. She is also interested in interface and device engineering, as well as in-situ characterizations and theoretical simulations. She has published over 150 peer-reviewed articles in top journals including Nature Sustainability, Energy Environmental Science, Advanced Materials, Advanced Energy Materials, Angew. Chem. Int. Ed., ACS Energy Letters, etc. She has authored 10 book chapters and holds 4 US patents (with industry) related to batteries and fuel cells. She is among the world’s top 2% scientists
Gaixia Zhang
Gaixia Zhang holds the Marcelle-Gauvreau Research Chair in Engineering at the École de technologie supérieure...



