PhD Research Intern, Quantum and AI for Chemistry - 2027

NVIDIA’s Quantum and Chemistry Research team is seeking Molecular AI and Quantum Research Interns to work in our newly-formed Quantum and Chemistry Research team led by Alán Aspuru-Guzik. The Quantum and Chemistry Research team explores novel approaches to integrate world-class NVIDIA multi GPU architectures with state-of-the-art and near-term quantum computers We also study how to develop new AI models for chemistry as well as agentic systems for computational chemistry. We are interested in robotics for self-driving labs as well. The Quantum and Chemistry Research Scientist will help develop either of:

• Quantum algorithms at the interface of artificial intelligence and many-body physics models such as quantum chemistry.

• Generative models for chemistry

• Self-driving lab robotics capabilities

• Agentic AI systems for computational chemistry

What You'll Be Doing:

• Advance the state-of-the-art of AI-driven quantum algorithms, generative models for chemistry, self-driving labs, or agentic AI.

• Present at relevant scientific, technical and industry conferences.

What We Need To See:

• Pursuing a PhD Degree in Chemistry, Physics, Computer Science, Applied Mathematics, Engineering, or related engineering field.

• Background in Quantum Information Science, or AI for chemistry with expertise in one of the following: quantum chemistry, quantum machine learning, or applied quantum algorithms, robotics for self-driving labs, generative models for chemistry, or computational agentic frameworks.

• Research experience in a graduate setting in any of the topics above.

• World-class communication skills with a demonstrated ability to articulate a value proposition to technical and non-technical audiences.

Ways To Stand Out From The Crowd:

• Background with GPU computing.

• Experience in software systems development.

• Experience in 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 invention of the GPU revolutionized parallel computing. Our GPUs are being used in many of the largest high-performance computing projects around the world, solving real world problems, including advancing the state of Quantum Information Science. NVIDIA is widely considered to be one of high technology's most desirable employers. We have some of the most forward-thinking and experienced people in the world working for us. Our goal is to craft an environment where we can do our life's best work. If you're creative, autonomous, and highly motivated, we want to hear from you!

Our internship hourly rates are a standard pay based on the position, your location, year in school, degree, and experience. The hourly rate for our interns is 77 CAD - 99 CAD. You will also be eligible for Intern benefits. ​

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