Intelligent data-driven design of next-generation energy materials

This project aims to develop next-generation transition metal oxides that replace critical elements such as cobalt and nickel with more abundant and sustainable alternatives such as iron. The work combines:

• Advanced characterization, including operando spectroscopy and diffraction
• Density Functional Theory (DFT) to model σ- and π-type bonding mechanisms
• High-throughput computational screening and machine learning to build predictive models linking electronic structure to voltage, capacity, and stability

By integrating experimental spectroscopy with computational and data-driven approaches, the project seeks to transform empirical battery performance metrics into physically measurable electronic structure descriptors, enabling predictive materials design.

Public funding alone (i.e. government, region, European, international organization research grant)

L’INRS offre un soutien financier à sa communauté étudiante. Cependant, les candidats sont également invités à postuler pour des bourses du FRQNT, du CRSNG, etc.

To accelerate the energy transition and mitigate global warming, the development of smart energy materials is essential. At the heart of Québec’s newly established Energy Transition Valley (Bécancour–Trois-Rivières–Shawinigan), the Institut National de la Recherche Scientifique (INRS) and the Université du Québec à Trois-Rivières (UQTR) have formed a joint research unit (UMR) dedicated to decarbonization and advanced battery technologies.

Within this dynamic environment, INRS invites applications for a PhD position focused on the data-driven design of Next Generation battery materials. Li-ion batteries are a cornerstone of low-carbon transportation, offering high efficiency and the potential for near-zero greenhouse gas emissions when powered by renewable energy. Since cathode materials account for a significant fraction of battery cost, energy use, and emissions, improving their chemistry is key to sustainable electrification.

Institut national de la recherche scientifique

Canada

Institut national de la recherche scientifique

To build the R&D team for the project, we are recruiting motivated, dynamic, and talented candidates for a PhD in Materials and Energy Sciences, encompassing all relevant fields, including engineering (materials or chemical), chemistry, physical chemistry, or electrochemistry. Graduate students will be selected based on their motivation for the project, regardless of their background, gender, or beliefs. Efforts will be made to recruit students from diverse backgrounds. Expertise in Li-ion batteries is an asset. Knowledge of theoretical chemistry, and experience in material synthesis or characterization will also be considered an asset.