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Intelligent data-driven design of next-generation energy materials

  • Doctorate
  • Summer
  • Financial support offered

Project description

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.

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.

Start date

2026

Research supervision

  • Karin Kleiner (principal supervisor, Prof. INRS-EMT, Trois-Rivières)
  • Kulbir Ghumann (principal supervisor, Prof. INRS-EMT, Varennes)

Study program

This study project will be carried out under the following program: Ph.D. in sciences de l’énergie et des matériaux (French description) of the Énergie Matériaux Télécommunications Research Centre.

Required qualifications

We are looking for a motivated, dynamic and talented candidate with a degree in chemical engineering, chemistry, physics, or a related area. Experiences in electrochemistry would be welcome. Expertise with Li-ion batteries, material synthesis, characterization, and simulation will also be considered an asset. Graduate students will be recruited based on their motivation for the project, regardless of their origins, gender, or beliefs. We are committed to an inclusive and equitable organizational culture, protecting and supporting staff and clients, and ensuring EDI. An effort will be made to recruit students with diversified backgrounds.

Scholarship

INRS offers financial support to its student community. However, candidates are also invited to apply for scholarships from FRQNT, NSERC, etc.

Location

Institut national de la recherche scientifique
Énergie Matériaux Télécommunications Research Centre
1650 Lionel-Boulet Blvd.
Varennes, Quebec  J3X 1P7
Canada

UMR INRS-UQTR sur les matériaux et les technologies pour la transition énergétique
Pavillon Tapan-K.-Bose
3351, Boul. des Forges C.P.500
Trois-Rivières (Québec) G9A 5H7
Canada

Questions

Karin Kleiner
karin.kleiner@inrs.ca

How to apply

Please use the form below to submit your application, including the following documents: (1) curriculum vitae; (2) letter of motivation; (3) university transcripts;

Published - EMT - Kleiner kulbir - Intelligent data-driven design of next-generation energy materials

Project title : Intelligent data-driven design of next-generation energy materials

Curriculum vitæ (CV) *

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Letter of motivation *

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University transcript *

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