AI powered chemistry
Molecular materials are the bottleneck.
Resolving industrial bottlenecks.
Improving yield, recovery, and efficiency.
Chicago, USA Toronto, Canada
From molecules to industry
We combine artificial intelligence with quantum chemistry to help industrial partners improve yield, recovery, and efficiency.
Your resources. Your operating conditions. Your bottleneck.
We explore the molecules and materials that could make the difference.
Where we work
Mining
The right chemistry can change what an ore yields. We explore collectors, extractants, and separation chemistry suited to your ore, impurities, and processing conditions, helping you identify promising routes to more selective mineral recovery.
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Brine
Valuable minerals sit alongside competing ions in every brine. We explore capture chemistry suited to the composition of your water, helping you investigate resource recovery and the removal of unwanted species.
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Hydrogen storage
Storing and transporting hydrogen is also a molecular design challenge. We explore liquid carrier chemistry with attention to hydrogen release, available heat, and repeated use, identifying options suited to your energy system.
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Catalysis
A catalyst can shape the practicality of an entire process. From hydrogen release to ammonia cracking, we explore chemistry with your conversion, selectivity, and operating conditions in view.
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Batteries
Our scientific background spans the electronic properties of lithium-ion cathode materials and sodium storage in carbon structures. We bring that perspective to promising electrode materials and focused questions for experimental development.
Let’s talkDrawing on Anouar Benali’s published research on electronic structure in LiCoO₂ and sodium storage in carbon structures with Christopher S. Johnson.
Working together
We start with your process and what a meaningful improvement would look like. Then we identify promising chemistry and help your team decide what to test next.
A focused discovery programme.
A clear path from molecular insight to experimental validation.
Who we are
Co-founder & Chief Executive Officer
Anouar holds a PhD in Theoretical Physical Chemistry. From 2011 to 2024, he worked at Argonne National Laboratory as a lead computational scientist at the intersection of high-performance computing and high-accuracy predictive methods.
He brings that experience to industrial chemistry, connecting molecular insight with improvements in recovery, efficiency, and material performance.
Co-founder, CSO & Scientific Chair
A founding pioneer of machine learning and AI for chemistry, Anatole helped establish a new field of molecular and materials discovery.
He holds the Ed Clark Chair of Advanced Materials at the University of Toronto, is a Canada CIFAR AI Chair at the Vector Institute, and serves as Chief Editor of PRX Intelligence. He leads Quantum Alkimia’s scientific strategy.
Let’s put chemistry to work
Tell us where chemistry is holding your process back.
info@quantumalkimia.comChicago USA
Toronto Canada