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Post Doctoral Scholar, Chemistry, Faculty of Science

Job ID: 25557

Updated: April 22, 2022

Location: Main Campus

We would like to take this opportunity to acknowledge the traditional territories of the people of the Treaty 7 region in Southern Alberta. The City of Calgary is also home to Métis Nation of Alberta, Region III.

Position Description

Area: Using artificial intelligence to design multi-element non-stoichiometric perovskite oxides as semiconductors and catalysts    

Duration: 1 year with the opportunity for extension 

Start Date: Open

Salary: ≥$45,000 $CAD per year, negotiable based on funding, qualifications, and experience, plus University of Calgary Postdoctoral health insurance benefits


The Department of Chemistry in the Faculty of Science at the University of Calgary is accepting applications for a Post Doctoral Scholar to use artificial intelligence for the design of multi-element non-stoichiometric perovskite oxides as semiconductors and catalysts. 


Job Description:

We are seeking a motivated postdoctoral scholar with excellent communication and interpersonal skills, intellectual independence, and a willingness to explore unfamiliar aspects of computational chemistry and materials science. The research will focus on the development and application of machine-learning methods to design new perovskite semiconductors and catalysts. Results from this work will ultimately contribute to improving our understanding of the mechanisms governing important thermochemical, electrochemical, and photochemical processes, initially focused on hydrogen generation. The successful candidate will work to characterize multi-component non-stoichiometric perovskites in tight collaboration with experimental groups who will synthesize, characterize, and evaluate the performance of new candidates identified in silico.  

The successful candidate will be working under the supervision of Dr. Dennis Salahub and co-supervised by Dr.’s Venkataraman Thangadurai (University of Calgary), Karthik Shankar (University of Alberta) and Alain Tchagang (NRC, Ottawa). This position is expected to be highly cooperative and interactive, with regular meetings amongst experimentalists and computational (machine learning, quantum chemistry (DFT, DFTB, etc.)) researchers at all three sites.  
•    Create/manage extensive chemical composition-properties databases
•    Execute predictive machine-learning protocols to predict new candidate perovskites
•    Execute quantum-chemical/solid-state DFT and other appropriate electronic-structure codes to characterize perovskites
•    Present and report research results at conferences and in peer-reviewed journals in a timely manner
•    Mentor graduate and undergraduate students in complementary research projects 
•    Maintain a safe, collegial, interactive, and welcoming research environment


•    PhD degree, preferably within the last three years, in computational chemistry, computational materials science or materials-related machine learning
•    Experience/willingness to master aspects of machine learning combined with quantum chemistry, density functional theory
•    Experience with cutting-edge computational methods for complex materials
•    Experience/willingness to collaborate closely with experimentalists
•    Experience with programming and the use of high-performance computing (Compute Canada)
•    Excellent written and oral communication skills

Please review the Postdoc Eligibility Guidelines for more information prior to applying for this position.

Application Details:

Evaluation of applications will begin on May 1, 2022 and continue until the position is filled.
Interested applicants may direct any inquiries about the position to [email protected]

To apply, please submit your application via email as a single PDF file with the subject line: Postdoctoral application – [Your name] to Dr. Dennis Salahub at [email protected]

All applications must include the following documents:
1)    one-page cover letter expressing interest in this position, including date of availability, suitability and motivation for the role
2)    current curriculum vitae (CV) that includes a list of all publications 
3)    A one-page research statement summarizing previous research experience
4)    official or unofficial copy of diploma(s)/university certificate(s); and
5)    the names and contact information of at least two (2) referees with knowledge of your research and academic experience to support your application


Please review the Postdoc Eligibility Guidelines for more information prior to applying for this position.


Only those applicants selected for interviews will be contacted further. In accordance with Canadian Immigration requirements, priority will be given to Canadian citizens and permanent residents of Canada, although others are encouraged to apply.

Postdocs who are not Canadian citizens or Permanent Residents of Canada are advised to visit Information for International Postdoctoral Scholars for more information. 


Additional Information

To learn more about postdoctoral scholar opportunities at the University of Calgary and all we have to offer, view our Postdoc Careers website. For more information visit Careers in the Faculty of Science.

The University strongly recommends all faculty and staff are fully vaccinated against COVID-19.


About the University of Calgary

The University of Calgary is Canada’s leading next-generation university – a living, growing and youthful institution that embraces change and opportunity with a can-do attitude. Located in the nation’s most enterprising city, the university is making tremendous progress on its Eyes High journey to be recognized as one of Canada’s top five research universities, grounded in innovative learning and teaching and fully integrated with the community it both serves and leads. The University of Calgary inspires and supports discovery, creativity and innovation across all disciplines. For more information, visit

To succeed as one of Canada’s top universities, where new ideas are created, tested and applied through first-class teaching and research, the University of Calgary needs more of the best minds in our classrooms and labs. We’re increasing our scholarly capacity by investing in people who want to change the world, bringing the best and brightest to Calgary to form a global intellectual hub and achieve advances that matter to everyone. For more information visit

About Calgary, Alberta

Calgary is one of the world's cleanest cities and has been named one of the world's most livable cities for years. Calgary is a city of leaders – in business, community, philanthropy and volunteerism. Calgarians benefit from the strongest economy in the nation and enjoy more days of sunshine per year than any other major Canadian city. Calgary is less than an hour’s drive from the Rocky Mountains and boasts the most extensive urban pathway and bikeway network in North America.

The University of Calgary has launched an institution-wide Indigenous Strategy in line with the foundational goals of Eyes High, committing to creating a rich, vibrant, and culturally competent campus that welcomes and supports Indigenous Peoples, encourages Indigenous community partnerships, is inclusive of Indigenous perspectives in all that we do.

As an equitable and inclusive employer, the University of Calgary recognizes that a diverse staff/faculty benefits and enriches the work, learning and research experiences of the entire campus and greater community. We are committed to removing barriers that have been historically encountered by some people in our society. We strive to recruit individuals who will further enhance our diversity and will support their academic and professional success while they are here. In particular, we encourage members of the designated groups (women, Indigenous peoples, persons with disabilities, members of visible/racialized minorities, and diverse sexual orientation and gender identities) to apply. To ensure a fair and equitable assessment, we offer accommodation at any stage during the recruitment process to applicants with disabilities. Questions regarding [diversity] EDI at UCalgary can be sent to the Office of Equity, Diversity and Inclusion ([email protected]) and requests for accommodations can be sent to Human Resources ([email protected]).


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