Position Summary
Applications are invited for multiple fully funded PhD positions in Computational Materials Design, with a focus on sustainable energy applications. Specific areas of interest include:
- Electrochemical devices such as Solid Oxide Fuel Cells (SOFCs) and batteries
- Catalysis for sustainable hydrogen (H₂) and ammonia (NH₃) synthesis
- Carbon dioxide (CO₂) capture and conversion
- Advanced coatings for aeronautical applications
Selected candidates will join a vibrant, inclusive, and interdisciplinary research team dedicated to the designing sustainable materials for clean energy technologies. Research will involve state-of-the-art computational methods, including:
- Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT)
- Classical Molecular Dynamics (MD)
- Ab-initio Molecular Dynamics (AIMD)
- Machine Learning (ML) for materials discovery and property prediction
- Python programming for data analysis, workflow automation, and model development
We welcome applicants from diverse academic, cultural, and personal backgrounds. Candidates from underrepresented groups in STEM- including women, Indigenous peoples, visible minorities, persons with disabilities, and LGBTQ+ individuals- are especially encouraged to apply.
About the Insilico Matters Laboratory (IML)
The Insilico Matters Laboratory (IML), established in 2019 at Energy, Materials and Telecommunications (EMT) center of INRS, is committed to building a world-class team and infrastructure focused on designing sustainable materials for energy and environmental applications. Our mission is to leverage expertise in defect and disorder engineering, atomistic simulations, and data-driven materials discovery to deliver innovative solutions for green technologies. IML fosters a collaborative, respectful, and supportive research culture, where mentorship and professional development are key priorities.
Research Areas
Computational materials design • Electrochemical energy systems • Solid-state ionics • Defects and disorder in materials • Classical and ab-initio simulations • Sustainable hydrogen and ammonia production • Machine learning in materials science • CO2 Capture and Conversion • Data-driven materials design
Start Date
Fall 2025 or Winter 2026 (flexible)
Start dates are flexible to accommodate personal or academic schedules.
Research Advisor
Prof. Kulbir Ghuman
Canada Research Chair in Computational Materials Design for Energy and Environmental Applications
Profile and Publications
Institution
Institut national de la recherche scientifique (INRS)
Énergie Matériaux Télécommunications Research Centre
1650 Boulevard Lionel-Boulet
Varennes, Quebec, J3X 1P7
Canada
Financial Support
All admitted students receive financial support throughout their PhD studies. Students are also encouraged to apply for additional competitive scholarships available through programs such as FRQNT, NSERC, and Mitacs.
Eligibility Criteria
- A Master’s degree (M.Sc.) in Materials Science, Physics, Chemistry, Mathematics, or a related field
- Strong interest and/or experience in computational modeling and simulations
- Proficiency in English (oral and written).
- Previous experience with MD, DFT, or ML is highly desirable
- Proficiency in Python or willingness to learn
- Excellent analytical, critical thinking, and problem-solving skills
- Ability to work both independently and collaboratively in a multidisciplinary environment
Application Process
To apply, please email the following documents in a single PDF to Prof. Kulbir Ghuman at kulbir.ghuman@inrs.ca:
- Curriculum Vitae (CV)
- Cover letter outlining your background and research interests
- Academic transcripts
- Contact information for two academic references
Please indicate whether you are a Canadian citizen/permanent resident or an international applicant. Applications will be reviewed on a rolling basis until the positions are filled. Only shortlisted candidates will be contacted for an interview.
About the Institut national de la recherche scientifique (INRS)
Université du Québec, Canada
The Institut national de la recherche scientifique (INRS) is a graduate-level, research-intensive university committed to contributing to societal advancement through cutting-edge discoveries and the training of the next generation of researchers and innovators. INRS consistently ranks first in Quebec and second in Canada in research intensity, measured by research funding per faculty and student.