Wolfson Department of Chemical Engineering · Technion — IIT
Autonomous platforms that predict chemical reactions before the lab does.
We combine chemical engineering, software engineering, and quantum chemistry theory to build open-source AI-driven tools to predict how real-world reactive systems behave. We accelerate chemical R&D by autonomous wet-lab validation. Our focus is on sustainable fuels, energy, polymers, pharma, and biochemistry.
A full-stack approach, from algorithms to self-driving labs.
Spanning core algorithms, resilient materials and sustainable fuels, and self-driving laboratories that close the loop between computation and experiment.
Theory
Accurate thermodynamics of complex species, automated transition-state searches with neural networks and generative methods, and quantum-driven refinement of chemical kinetic models.
Engineering
Generative search of novel molecules against multi-variable targets, and cyber-physical systems for automated hypothesis generation, refinement, validation, and revision.
Applications
Sustainable aviation fuels, satellite propellants, and CO₂ conversion in energy; drug shelf-life and retro-synthesis in pharma; 2D materials and block co-polymers in electronics.
Tools tailored for human and agentic chemical prediction.
We disseminate our work through high-quality, open-source packages our group develops and maintains.
ARC
Automates electronic-structure calculations to attain thermo-kinetic data relevant for chemical kinetic modeling.
View on GitHubT3
Performs automated kinetic model generation and refinement, closing the loop between simulation and computation.
View on GitHubTCKDB
Standardizes theoretical chemical kinetics data and makes it conveniently available to the international community.
View on GitHubMeet the team.
The people behind the science.
Bring predictive chemistry into your R&D.
We partner with industry to compute what the lab would find — before the experiment runs — and fold it straight into your development pipeline.
Build the next platform technology with us.
Gain invaluable experience with advanced computational tools and Agentic AI workflows. We are committed to a diverse environment and equal opportunity for all.
Graduate students
MSc and PhD tracks leading exciting research in Chemical Engineering, computational chemistry, and closed-loop agentic workflows.
We're looking for the very best individuals. Apply with your CV + transcripts.
Postdocs
Early career PhD researchers with experience in chemical kinetics / computational chemistry / advanced agentic methods are invited to apply. Send your CV + transcripts + selected publications.
Undergraduates
Technion students seeking research opportunities for credit can work with our top graduate students and researchers. This is usually done in pairs. A great way to get to know the group.