PhD position at Université de Montréal: Learning density functional theory on quantum computers
We are looking for a highly motivated candidate for a fully-funded interdisciplinary PhD position between quantum computing, condensed matter physics and quantum chemistry, starting in either spring or fall 2026, at Université de Montréal (UdeM), in the vibrant city of Montréal in Québec, Canada!
Supervisors: Prof Michel Côté (Physics), Prof Matthias Ernzerhof (Chemistry) and Prof Hlér Kristjánsson (Computer Science) at the University of Montréal and Mila – Québec AI Institute
Collaboration with Dr Simon Verret, quantum developer at Université de Sherbrooke
Description:
The goal of the project is to use quantum computers to generate a quantum chemistry dataset and, based on this dataset, use machine learning to develop improved chemistry modeling tools. To achieve this goal, researchers at the University of Sherbrooke have developed a quantum algorithm that allows for better energy estimation for condensed matter and chemistry systems [arxiv:2401.02527]. We want to use and extend the reach of these types of algorithms by using new representations of chemical Hamiltonians based on ideas from density functional theory (DFT). The first steps of the PhD will consist of comparing these new representations with existing strategies for representing Hamiltonians on quantum computers, such as the recent paper by IBM [ https://www.science.org/doi/10.1126/sciadv.adu9991 ].
Essential requirements:
– Master’s degree in physics, chemistry, computer science, or related fields
– Working knowledge of quantum theory in one of the following contexts: condensed matter physics, quantum chemistry, and/or quantum information
Experience in any of the following is a plus:
– Computational quantum chemistry
– Programming (Python, C/C++, Fortran)
– Density functional theory (DFT)
– Quantum information and quantum computing
– Quantum field theory
– Machine learning
Why come to Montréal?
– Vibrant cultural scene, home to many annual music and arts festivals
– Bilingual city (French/English) with an international environment
– Ranked as best student city in North America and Top 10 in the world!
– Université de Montréal is home to both founding pioneers of quantum information Prof Gilles Brassard and of machine learning Prof Yoshua Bengio
– Department of Computer Science and Operations Research is ranked Top 3 in Canada and Top 50 in the world for computer science
Application process:
Interested and eligible candidates should apply using the Mila supervision request system by 1st Dec 2025: https://mila.quebec/en/prospective-students-and-postdocs/research-progra…
– Make sure to list both Prof Michel Côté and Prof Hlér Kristjánsson (both associate academic members of Mila) as potential supervisors (otherwise we will not receive your application)
– For this position, you will need to have 2 or 3 letters of recommendation submitted by your letter writers directly through the Mila system (as explained in the system)
– Please note that we are using the Mila system to process applications for logistical reasons; this does not mean that the project will necessarily need to be AI-focused