Danish Center for AI Innovation (DCAI) announced that Kvantify, a Danish pioneer in quantum software for chemistry and drug discovery, will be using the AI supercomputer Gefion to simulate quantum computers at scale. While Gefion has previously supported quantum computing research initiatives, Kvantify is the first dedicated quantum software company to harness its capabilities.
Kvantify is leveraging Gefion's GPU-accelerated infrastructure to run and scale its novel simulator optimized for chemistry problems. Kvantify's software includes proprietary algorithms which are essential for accurately modeling molecular systems and reaction pathways relevant to drug design and enzyme engineering.
"Gefion provides exaflop class performance for AI, and its specialized hardware happens to also be perfectly suited for simulated quantum computing," said Casper Kirkegaard, Head of Engineering at Kvantify. "This allows us to simulate future quantum computers today, which we are currently looking to utilize for industry relevant molecules such as penicillin using hundreds of qubits"
Quantum R&D
The collaboration also highlights Gefion's broader role as a possible infrastructure backbone for emerging quantum R&D. As quantum technologies continue to evolve, Gefion provides the computational power needed to simulate, test, and refine quantum algorithms, enabling researchers to accelerate breakthroughs in a variety of fields—from materials science to optimization problems.
"Gefion was built to push the boundaries of what's possible with AI infrastructure—and Kvantify is showing how that same AI hardware can deliver impact in quantum computing" said Nadia Carlsten, CEO of DCAI. "Their use case demonstrates how quantum software companies can meaningfully advance their work today using classical infrastructure designed for scale and specialization."
"Simulating quantum computers is a fundamental step toward unlocking their real-world potential," said Hans Henrik Knudsen, CEO of Kvantify. "Gefion allows us to do this at a scale and speed we've never had before. This will directly accelerate the development of quantum algorithms and open new possibilities for future applications in science and technology."
Kvantify's use of Gefion further underscores the AI supercomputer's versatility across domains beyond machine learning, including quantum simulation, molecular modeling, and next-generation HPC workflows. It also reflects a broader trend: the convergence of quantum research and classical infrastructure to solve today's most complex scientific problems.
Nadia Carlsten was one of the guests at last year's Datacenter Forum Copenhagen at the panel 'Navigating the AI Revolution':
