University of Toronto · Matter Lab

Varinia Bernales — Assistant Professor of Computer Science & Chemistry, University of Toronto

Assistant Professor | Department of Computer Science & Chemistry | University of Toronto | AI for Science | Quantum Chemistry | Safety | Autonomous Experimentation

Varinia Bernales

01 — Profile

About Me

I am an Assistant Professor in Computer Science and Chemistry at the University of Toronto and the Principal Investigator and Co-Director of Matter Lab, where we develop AI-driven platforms that accelerate scientific discovery. We are building the El Agente platform, including El Agente Q, an autonomous agent for quantum chemistry, along with a growing suite of tools that enable self-driving laboratories for molecular and materials design. My work brings together computational chemistry, machine learning, robotics, and scientific automation, with a strong focus on AI safety, alignment, and governance in scientific settings.

My research lies at the intersection of quantum chemistry, machine learning, and autonomous experimentation, where we develop frameworks and tools focused on enabling trustworthy AI-driven decision-making across catalysis, sustainable materials, chemical safety, and advanced materials design.

My career spans both academia and seven years in industry, including leadership roles at Underwriters Laboratories Research Institutes and in the Core R&D group at The Dow Chemical Company, where I co-invented several patented technologies in industrial catalysis and materials innovation. My work has consistently bridged fundamental science and industrial application, advancing computational and AI-driven approaches for safer and more sustainable materials design.

Across all my roles, I mentor interdisciplinary teams of computer scientists, chemists, engineers, and physicists who are exploring new frontiers in AI for science and autonomous experimentation.

02 — Research

Research Highlights

Selected research projects

03 — Recognitions

Awards & Recognitions

Selected honors for scientific contributions

Trailblazer in Chemistry

2024Chemical & Engineering News

Recognized as a global researcher transforming chemistry.

Great Minds in STEM Luminary

2023Great Minds in STEM

Awarded for leadership and outstanding contributions to STEM education and research.

Outstanding Postdoc Award

2017ACS COMP Division

Recognized for exceptional contributions to computational chemistry research during postdoctoral studies.

04 — Press

Media Presence

Featured coverage and press

2026
2025
2024
2023

06 — Contact

Get In Touch

I'm always interested in discussing research collaborations, student opportunities, or potential projects.

  • Email
    bernales@cs.utoronto.ca
  • Office
    Sandford Fleming Building
    University of Toronto
    10 King's College Rd
    Toronto, ON M5S 3H6
  • Office Hours

    Tues & Thurs 2-4pm
    Or by appointment