Paris, France, October 09 2025 -- Alice & Bob, a global leader in the race for fault-tolerant quantum computing, today announced new results exploring quantum simulation of complex molecules critical to drugs and fertilizers development.

The results of this preliminary study have been shared in a blogpost titled, “Quantum Resource Estimation for Ground State Energy of FeMoco and P450 on Cat Qubits.” Alice & Bob shows how quantum computers based on cat qubits make the precise simulation of key biological molecules significantly more feasible by reducing hardware requirements.

Researchers estimated a 27x reduction in physical qubit needs compared to a previous 2021 study from Google. Keeping all other parameters equal, including logical error rate and run time, the team brought the total physical qubit requirements from 2,700,000 to 99,000.

Even the most powerful classical supercomputers struggle to simulate the complex electron structures and interactions of molecules like the cytochrome P450 enzyme (P450) and FeMoco. Quantum computers, however, could simulate such molecules rapidly and with precision once the technology reaches sufficient maturity. In the study, researchers from Alice & Bob estimated the compute time and number of physical qubits required to accurately predict the ground state energy of P450 and FeMoco.

“Quantum simulation can access the mechanisms of important molecules with unprecedented precision,” said Théau Peronnin, CEO of Alice & Bob. “Cat qubits significantly enhance the hardware efficiency required by these simulations, unlocking promising applications in drug discovery and the invention of better production methods for key chemicals.”

Predicting the ground state energy of a molecule is key to understanding its key mechanisms, properties, reactivity and behaviors in different environments.

P450 plays a central role in drug metabolism, making it a crucial biomolecule in the pharmaceutical industry. Quantum chemistry enables detailed modeling of the enzyme and its mechanisms, which could support the design of more effective and safer drugs by allowing scientists to optimize compounds for more favorable metabolism.

FeMoco is a key molecule in biological nitrogen fixation, the process by which microbes convert atmospheric nitrogen into ammonia, which can then be used by crops for photosynthesis and growth. To meet global food demands, synthetic ammonia is produced via Haber-Bosch, a process responsible for up to 3% of global carbon emissions and 1-2% of global energy consumption.

Alice & Bob’s systems, using fewer physical qubits to run quantum computations, could shorten the timelines for the design of more effective drugs and more sustainable fertilizers using quantum computers.

With mathematical evidence of efficiency gains for these and other applications, Alice & Bob recently released a report detailing how early fault-tolerant quantum computing will enable solutions to critical scientific applications like chemical simulation that are beyond classical supercomputing capabilities within the next five years.