Qubit Pharmaceuticals and the Centre for Quantum Technologies (CQT) have achieved the first deployment of a quantum Markov Chain Monte Carlo (qMCMC) algorithm to quantum hardware, a milestone presented at Quantum Industry Day in Singapore on April 23, 2026. The two-year collaboration combines Qubit Pharmaceuticals’ expertise in quantum chemistry with CQT’s capabilities in quantum computing, targeting computational bottlenecks in drug discovery through algorithms like qMCMC, variational quantum eigensolvers, and quantum phase estimation. Researchers aim to determine if these quantum algorithms can deliver quadratic or even exponential computational advantages over classical methods in molecular simulations. “Quantum algorithms for chemistry have been studied for decades, but real implementations remain rare,” said Robert Marino, CEO of Qubit Pharmaceuticals. “By working with CQT and leveraging access to quantum hardware, we aim to transition these algorithms from theoretical constructs into real computational tools for molecular discovery.”
Qubit Pharmaceuticals & CQT Launch Molecular Discovery Collaboration
The collaboration unites Qubit Pharmaceuticals’ quantum chemistry and sampling expertise with CQT’s strengths in quantum computing and circuit design, accelerating the application of advanced quantum methods to drug discovery. Teams are concentrating on algorithms like variational quantum eigensolvers, quantum phase estimation, and qMCMC sampling, a technique targeting computational bottlenecks in molecular simulations. This work extends beyond academic research; the teams are actively validating algorithms on quantum simulators before transitioning to real quantum hardware supported by Singapore’s National Quantum Computing Hub and Quantinuum’s H2 and Helios systems. Initial results, published on the arXiv preprint server, detail the first deployment of a qMCMC algorithm on quantum hardware, testing multiple encodings.
José Ignacio Latorre, Director of CQT and Provost’s Chair Professor at the National University of Singapore’s Department of Physics, stated that the team wants to develop quantum algorithms at a similar pace to hardware development, reflecting a desire to synchronize algorithmic advancement with hardware capabilities. Researchers, led by Jean-Philip Piquemal at Qubit Pharmaceuticals and Sergi Ramos-Calderer at CQT, are striving to generate molecular simulation data directly from quantum algorithms, with the ultimate goal of integrating these capabilities into future drug discovery pipelines.
The teams are specifically targeting improvements in the accuracy of quantum chemistry calculations and the efficiency of molecular simulations. “Through our collaboration with Quantinuum, we have the opportunity to test quantum algorithms on some of the best gate-based quantum machines available today,” said Sergi Ramos-Calderer of CQT, emphasizing the importance of aligning algorithm design with hardware advancements.
By working with CQT and leveraging access to state-of-the-art quantum hardware, we aim to transition these algorithms from theoretical constructs into real computational tools for molecular discovery.
Robert Marino, CEO of Qubit Pharmaceuticals
