3 citations · 3 across the 4 of their papers we have counts for
5 papers
A Comparative Study of Molecular Dynamics Approaches for Simulating Ionic Conductivity in Solid Lithium Electrolytes
Dounia Shaaban Kabakibo, Félix Therrien, Yoshua Bengio +4
Accurate prediction of ionic conductivity is critical for the design of high-performance solid-state electrolytes in next-generation batteries. We benchmark molecular dynamics (MD)…
Adsorption energies are necessary but not sufficient to identify good catalysts
Shahana Chatterjee, Alexander Davis, Lena Podina +7
As a core technology for green chemical synthesis and electrochemical energy storage, electrocatalysis is central to decarbonization strategies aimed at combating climate change. I…
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study
Lena Podina, Christina Humer, Alexandre Duval +7
Efficient and inexpensive energy storage is essential for accelerating the adoption of renewable energy and ensuring a stable supply, despite fluctuations in sources such as wind a…
OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
Félix Therrien, Jamal Abou Haibeh, Divya Sharma +10
Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved…
A physics-based data-driven model for CO gas diffusion electrodes to drive automated laboratories
Ivan Grega, Félix Therrien, Abhishek Soni +6
The electrochemical reduction of atmospheric CO into high-energy molecules with renewable energy is a promising avenue for energy storage that can take advantage of existing in…