Quantum Computing to Solve Core Challenges in Drug Discovery

Kvantify, Atom Computing, and AU Chemistry join forces to make the innovations needed for quantum computing to solve outstanding challenges. The research and innovation project will accelerate the technological impact in drug discovery. Innovation Fund Denmark invests DKK 30 million in the project.

Pharmaceuticals are central for global health and economy, but the industry is challenged by success rates, timelines of 10-15 years, and on average more than DKK 15bn spendings for the development of a single new medicine.

Simulations of molecular processes are at the heart of drug discovery, and innovation into novel methods with improved accuracy are of utmost importance for overcoming the challenges.

“With the potential to perform computations that are currently impossible, quantum computing offers a promising technological path forward for drug discovery. But to facilitate the impact, new accurate quantum-ingrained chemistry methods are required as the basis for hardware-optimized quantum algorithms,” says Ove Christiansen, Professor at the Department of Chemistry, Aarhus University.

Those methods must in turn be implemented and made accessible to specialists in industry through simple-to-use software that can be straightforwardly integrated into existing workflows.

Quantum Computers can Push the Boundary for Molecular Simulations

A key computational bottleneck in drug discovery is to accurately predict how strongly a candidate drug molecule will bind to its target protein, also known as the binding affinity. Funded by the Innovation Fund Denmark, the international and interdisciplinary consortium behind EarlyBIRDD will tackle this challenge head-on.

Through innovations in computational chemistry methods, co-development of quantum hardware and algorithms, and integration into efficient user-tailored software, the consortium will provide the pharmaceutical industry with an entirely new technology that leverages the full computational capacity of state-of-the-art quantum computers for solving exactly the binding affinity problem.

“Molecular simulations are extremely hard for classical computers but naturally translate into the language of quantum computers. This makes computational chemistry a very promising place to look for first use cases of quantum computing with high business value,” says Nikolaj Thomas Zinner, CSO and co-founder of Kvantify and project leader of EarlyBIRDD.

Potential to Reduce Industry Costs Significantly

It is anticipated that breakthroughs in computer-assisted drug development will reduce R&D costs by up to 50%. EarlyBIRDD will contribute directly to that, and in the longer term deliver economic growth by making quantum computing an innovation enabler for the pharmaceutical industry that alone constitutes 10% of Danish GDP.

“Quantum computing hardware will remain in-development for years to come, but with the so-called early fault-tolerant quantum computers we are entering a regime where we expect to see industrial impact. However, making an early bird tap into this imminent business potential requires dedicated co-development across the entire chain – from problem and method formulation to algorithm development, hardware implementation, and software integration,” Nikolaj Thomas Zinner explains.

Collaboration between Research, Technology, and Industry

With the investment from Innovation Fund Denmark, EarlyBIRDD can make those vital complementary connections between Aarhus University’s expertise in theoretical quantum chemistry, Kvantify’s quantum software and algorithms, and Atom Computing’s scalable quantum computing hardware and bring the entire development process into a single, focused project.

To ensure end user compatibility the consortium will establish a forum of industry stakeholders and solicit their input on software functionalities and performance needs. Here, EarlyBIRDD will also benefit from subcontractor Alexandra Institute’s expertise in user interface development.

EarlyBIRDD is an ambitious, high-value endeavor poised to position Denmark firmly in the global quantum computing competition and give Danish industries a head start in adopting and exploiting the technology.

Further Information

Contact
Project leader: Nikolaj Thomas Zinner, CSO & Co-founder, Kvantify ApS
Mail: ntz@kvantify.dk

Facts
Innovation Fund Denmark’s investment: DKK 30.0 million
Total budget: DKK 37.7 million
Duration: 4 years, starting April 2026
Official title: Early fault-tolerant quantum computing – Bringing Impact by Revolutionizing Drug Discovery (EarlyBIRDD).

About the Project Partners

Kvantify

Kvantify is a Danish startup that develops software and algorithms coupling the speed and accuracy of quantum computers with the power of classical computing clouds with the goal of transforming molecular discovery. Incorporated in 2022, Kvantify now employs more than 40 specialists in quantum algorithms, chemistry, drug discovery, and computer science.

Atom Computing

Atom Computing is a global leader in development of quantum computing hardware based on trapped neutral atoms. The company is based in Boulder, Colorado and employs more than 100 people. Atom Computing has recently set up an office in Copenhagen and will deliver the quantum computer Magne to be commissioned in Denmark in late 2026.

Department of Chemistry, Aarhus University

The Department of Chemistry at AU is home to one of the world’s most advanced scientific communities in theoretical chemistry. Essential for the project, the department will contribute leading expertise on quantum chemistry and force-field development that will be a cornerstone for computational speed-ups and development of novel quantum algorithms.