PhD Research Intern, Quantum and AI for Chemistry - 2027

at Nvidia

📍 Toronto, Canada

CAD 77-99 per hour

INTERN

✅ On-site

Tech Stack
Tag name is followed by "@" symbol and proficiency level value. About proficiency levels:

1-2 — basic awareness. Minimal hands-on experience, and a rudimentary understanding of the technology's purpose;

3-6 — daily use. Comfortable and regular usage, capable of handling common tasks and challenges related to the technology;

7-9 — you are an expert, you can teach others, you know all the pitfalls and tricks;

10 — exceptional knowledge, comprehensive understanding, and adeptness in all aspects of the technology, including advanced problem-solving. Think twice before claiming or demanding such level.

AI @ 3 Agentic AI Agentic Systems Algorithms @ 3 Communication @ 6 Deep Learning @ 3 GPU @ 3 HPC Machine Learning @ 3 Mathematics @ 3 Robotics @ 3

Details

NVIDIA's Quantum and Chemistry Research team is seeking Molecular AI and Quantum Research Interns to work in its newly formed Quantum and Chemistry Research team, led by Alán Aspuru-Guzik. The team explores approaches integrating NVIDIA multi-GPU architectures with state-of-the-art and near-term quantum computers. It also develops AI models for chemistry, agentic systems for computational chemistry, and robotics for self-driving laboratories.

The intern will help develop one or more of the following:

Quantum algorithms at the interface of artificial intelligence and many-body physics models such as quantum chemistry.
Generative models for chemistry.
Self-driving laboratory robotics capabilities.
Agentic AI systems for computational chemistry.

Responsibilities

Advance the state of the art in AI-driven quantum algorithms, generative models for chemistry, self-driving laboratories, or agentic AI.
Present work at relevant scientific, technical, and industry conferences.

Requirements

Pursuing a PhD in Chemistry, Physics, Computer Science, Applied Mathematics, Engineering, or a related engineering field.
A background in Quantum Information Science or AI for chemistry, with expertise in one or more of the following: quantum chemistry, quantum machine learning, applied quantum algorithms, robotics for self-driving laboratories, generative models for chemistry, or computational agentic frameworks.
Graduate-level research experience in one or more of these areas.
Strong communication skills and the ability to articulate a value proposition to technical and non-technical audiences.

Preferred Qualifications

Background in GPU computing.
Experience with software systems development.
Experience with machine learning methods.
Experience scaling or optimizing large-scale AI models.
Hands-on experience in scientific computing, high-performance computing, applied machine learning, or deep learning.

NVIDIA's GPUs are used in high-performance computing projects around the world, including projects advancing Quantum Information Science. The company seeks creative, autonomous, and highly motivated individuals.

Applications will be accepted at least until September 20, 2026. This posting is for an existing vacancy. NVIDIA uses AI tools in its recruiting processes.