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Quantum Computing for Life Sciences: Revolutionizing Drug Discovery and Healthcare

In the last few years, quantum computing has emerged as a powerful tool with the potential to significantly change numerous industries, with life sciences and healthcare at the forefront [1]. But what are the applications of quantum computing in life sciences? In this post, we will explore the most commonly asked questions about quantum computing for life sciences and provide some answers on the most recent developments in the field.

How is Quantum Computing Used in Life Sciences?

Quantum computing is particularly promising in life sciences because of its potential to offer alternate pathways with respect to traditional methods to (i) solve complex molecular electronic structure problems, (ii) determine biochemical interactions as well as (iii) to predict chemical reaction pathways and rates, all of which with controllable accuracy. Therefore, one of the core applications of quantum computing in life sciences is in drug discovery where all of the above problems need to be addressed in different stages of the drug discovery pipeline. This means that quantum computing could drastically reduce the time and cost of bringing new, more effective drugs to market. Consequently, the potential of quantum computing in life sciences, healthcare, and drug discovery is significant [1].

Will Quantum Computing Change Medicine?

Absolutely. On top of the above, quantum computing further promises to fundamentally change our approach to understanding and treating diseases, moving beyond paradigms of traditional computer-aided drug design (CADD). For instance, the early discovery of chemotherapy treatments was largely based on chance and even tragic historical events [2]. Today, our understanding of disease mechanisms has advanced tremendously, and quantum computing could accelerate this progress by enabling more precise simulations of disease-related processes at a molecular level.

Beyond traditional CADD, quantum computing opens possibilities in areas such as photodynamic cancer therapy, deuterated drugs for optimized metabolism, and bioconjugates for enhanced absorption. For example, quantum simulations could help to steer molecular properties of photosensitizers for deep-tissue applications, enhance in-vivo drug stability through deuteration, and improve absorption rates of complex drugs through bioconjugation. These advancements will allow researchers to explore molecular interactions and activation mechanisms in unprecedented detail, potentially reducing side effects and making treatments both more targeted and personalised.

Quantum Computers for Healthcare Research

While quantum computing is still in its infancy, the potential for healthcare research is immense. Current advancements, such as Algorithmiq’s collaborations with hardware providers [3-8] and pharmaceutical companies [9], are pioneering new quantum algorithms that push the boundaries of what can be achieved on today’s quantum hardware. These hybrid quantum-classical algorithms are designed to operate on near-term, noisy quantum devices, making practical applications feasible with current devices. By optimising these algorithms, Algorithmiq has achieved significant improvements in simulation accuracy for drug discovery and other healthcare applications. This approach has demonstrated the viability of quantum computing for healthcare research, even without fully fault-tolerant quantum machines.

Quantum and AI for Life Sciences

The combination of quantum computing and artificial intelligence (AI) opens new possibilities for the life sciences. AI’s ability to analyze vast amounts of data paired with quantum computing’s capability to perform complex simulations can help researchers get actionable insights faster than ever before. AI could help identify potential drug targets, while quantum computing refines the simulations, thus improving the accuracy of drug design. For example, Algorithmiq’s work on quantum algorithms [10] specifically tailored to simulate drug interactions is an example of what could be possible by bringing AI and quantum computing together. By combining both technologies, we are not only accelerating the pace of drug discovery but also making strides towards more sustainable and effective treatments.

The Future of Quantum Computing in Life Sciences

While fully mature quantum computing technology may still be years away, recent advancements demonstrate its potential to transform life sciences [1]. By overcoming computational limitations in molecular simulations, quantum computing could soon — metaphorically speaking — unlock a quantum leap for healthcare and life sciences. The journey toward practical quantum advantage is just beginning, but the future holds incredible promise for those willing to pioneer the unknown.

References:

[1] M. Guenot. “Can quantum computing crack the biggest challenges in health?” Nature Medicine 31, 4–7 (2025)
[2] The Grim and Marvelous Story of Chemotherapy
[3] IBM, Algorithmiq Join Forces for New Drug Discovery
[4] Algorithmiq Runs Large-Scale Error Mitigation Experiment on IBM Equipment
[5] Algorithmiq Leverages NVIDIA Supercomputing to Advance Quantum Computing
[6] Algorithmiq to Speed Quantum Computing Advancements with NVIDIA Accelerated Computing
[7] Algorithmiq Joins the QuEra Quantum Alliance to Accelerate Healthcare and Life Sciences Breakthroughs on Neutral-Atom Quantum Computers
[8] Algorithmiq Transforms Drug Discovery by Harnessing Quantum Circuits’ Aqumen Seeker to Accelerate Chemistry Calculations
[9] Cleveland Clinic to lead quantum computing research initiative
[10] A. Nykänen et al. , “∆ADAPT-VQE: Toward Accurate Calculation of Excitation Energies on Quantum Computers for BODIPY Molecules With Application in Photodynamic Therapy.” arXiv preprint arXiv:2404.16149, 2024
[10]A. Nykänen, et al. “Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals.” arXiv preprint arXiv:2310.01302, 2023

Author

Elsi-Mari Borrelli
Head of Corporate Partnerships & Sales

Stefan Knecht
Lead Quantum Chemistry Researcher