The Danish Center for AI Innovation (DCAI) has announced that Kvantify, a Danish quantum software company specializing in chemistry and drug discovery, will utilize the AI supercomputer Gefion to simulate quantum computers at scale. This marks Kvantify as the first dedicated quantum software company to leverage Gefion's capabilities, although Gefion has previously supported quantum computing research.

Kvantify is utilizing Gefion's GPU-accelerated infrastructure to run and scale its simulator, which is optimized for chemistry problems. The software incorporates proprietary algorithms essential for accurately modeling molecular systems and reaction pathways relevant to drug design and enzyme engineering. According to Casper Kirkegaard, Head of Engineering at Kvantify, Gefion offers exaflop class performance for AI, with specialized hardware suited for simulated quantum computing. Kvantify aims to simulate future quantum computers, potentially using hundreds of qubits to study industry-relevant molecules like penicillin.

The collaboration highlights Gefion's role as an infrastructure backbone for emerging quantum R&D. Gefion provides computational power to simulate, test, and refine quantum algorithms, accelerating breakthroughs across materials science and optimization problems. Nadia Carlsten, CEO of DCAI, emphasized that Gefion was built to push the boundaries of AI infrastructure and that Kvantify's use case demonstrates how AI hardware can impact quantum computing. She notes that quantum software companies can advance their work today using classical infrastructure designed for scale and specialization.

Hans Henrik Knudsen, CEO of Kvantify, stated that simulating quantum computers is a fundamental step towards unlocking their real-world potential, and Gefion allows them to do this at an unprecedented scale and speed. This will accelerate the development of quantum algorithms and open new possibilities for future applications in science and technology. Kvantify's use of Gefion highlights the AI supercomputer's versatility across domains beyond machine learning, including quantum simulation, molecular modeling, and next-generation HPC workflows.

This collaboration reflects a broader trend: the convergence of quantum research and classical infrastructure to solve complex scientific problems. Kvantify's mission is to make quantum computing technology widely accessible as a valuable tool for businesses worldwide. DCAI's Gefion, one of the most powerful supercomputers globally and powered by 1,528 NVIDIA H100 Tensor Core GPUs, aims to lower the barrier for accessing advanced computing capabilities and foster ecosystem growth. DCAI's customers include academic researchers, startups, government institutions, and enterprise customers engaged in large-scale innovation. DCAI was formed as a company and funded by the Novo Nordisk Foundation and EIFO in 2024.