Varinia Bernales
Assistant Professor
Combines AI, self-driving laboratories and electronic structure methods to design next-generation materials.
Varinia Bernales's lab at Toronto works on proteins, drugs & materials and autonomous vehicles & drones. 27 papers since 2023. 64 alumni. Applications close .
At a glance
- papers, 2023–2026
- 7/ year
- at T1 venues
- 0%
- PhD students
- 0
- MS students
- 0
- alumni listed
- 64
Papers by yearfrom the lab homepage, 2023–2026
- 17 papers2026 · T1 0 · collecting
- 8 papers2025 · T1 0
- 2 papers2024 · T1 0
- 0 papers2023 · T1 0
T1 venuesOther
Research focuspaper titles that use each topic's words
- Proteins, drugs & materials7 papers
- Autonomous vehicles & drones2 papers
- laboratories1 paper
- self-driving laboratories1 paper
- next-generation0 papers
Paper list
From the lab homepage.
202617 papers
- Digital Discovery 5:2, 497-509Accelerating Catalytic Advancements through the Precision of High-Throughput Experiments & Calculations (opens in a new tab)
- Nature Synthesis 5:10, 1472-1474Accelerating synthesis at scale requires a coordinated ecosystem (opens in a new tab)
- AI4X-AC PosterEGMOF: Efficient Generation of Metal-Organic Frameworks Using a Hybrid Diffusion- Transformer Architecture (opens in a new tab)
- Reports on Progress in Physics 89:7, 077602El Agente Cuántico: Automating Quantum Simulations (opens in a new tab)
- AI4X-AC OralEl Agente Forjador: Task-Driven Agent Generation for Quantum Simulation (opens in a new tab)
- AI4X-AC OralEl Agente Gráfico: Structured Execution Graph for Scientific Agents (opens in a new tab)
- Chem, 103259El Agente Quntur: A research collaborator agent for quantum chemistry (opens in a new tab)
- AI4X-AC OralFrom Model to Molecule: Rapid Discovery of Potent CDK2 Inhibitors Using Boltz-2 (opens in a new tab)
- Nature Computational ScienceHIP: Hessian Interatomic Potentials without derivatives (opens in a new tab)
- AI4X-AC OralLa Agente Optima – Orchestrated Bayesian Optimization and Active Learning for Accelerated In-Silico Compound Discovery (opens in a new tab)
- Advanced Science 13:38, e75947Lessons From Drug Discovery for Cryoprotective Agent Design: An AI-Oriented Perspective (opens in a new tab)
- Chemical Science 17:31, 14918-14930Mapping the Crystallization Landscape of Rare Earth MOFs: A High-Throughput Investigation of Structure, Kinetics, and Selectivity (opens in a new tab)
20258 papers
- Digital Discovery 5:2, 510-522Computer Vision for High-Throughput Materials Synthesis: A Tutorial for Experimentalists (opens in a new tab)
- Matter 8:7, 102263El Agente: An Autonomous Agent for Quantum Chemistry (opens in a new tab)
- Journal of Materials Chemistry A 13:32, 26041-26066High Throughput Computational and Experimental Methods for Accelerated Electrochemical Materials Discovery (opens in a new tab)
- Chemical Engineering Journal 506, 159851Modeling of Protodeborylation of Tris(pentafluorophenyl)borane (BCF) under Conditions Relevant to Epoxide Ring-Opening Reactions (opens in a new tab)
- Nature Reviews Chemistry 9:10, 707-722Steering towards Safe Self-Driving Laboratories (opens in a new tab)
- Current Opinion in Chemical Engineering 51, 101217The Elephant in the Lab: Synthesizability in Generative Small-Molecule Design (opens in a new tab)
- Polyhedron 281, 117707The Rise of Agents: Computational Chemistry Is Ready for (R)Evolution (opens in a new tab)
- Industrial & Engineering Chemistry Research 64:33, 15982-15996Triarylborane-Catalyzed Ring-Opening Polymerization of Propylene Oxide: A Pathway to Superior Polyurethanes (opens in a new tab)
20242 papers
- Faraday Discussions 256, 177-220Discovering Chemical Structure: General Discussion (opens in a new tab)
- ACS Sustainable Chemistry & Engineering 12:6, 2345-2351Oxidation of Hydrosilanes to Silanols by Peracetic Acid (opens in a new tab)
Where alumni went64 listed
Apply to TorontoFall 2027
Computer Science MSc/PhD
- Round
- Single round (Dec 1)
- Opens
- —
- GRE
- optional
- English
- TOEFL/IELTS if applicable
- Fee
- CAD 135
Confirmed on the program page.
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