Mathematicians have found a way to enhance quantum computers for simulating intricate quantum systems like molecules. This breakthrough could improve our ability to predict the effects of new medications in the human body, offering a transformative approach to drug development.
Researchers from the University of Copenhagen have discovered a method to upgrade quantum computers for simulating complex quantum systems, including molecules. This advancement gets us closer to understanding how new drugs operate within our bodies and has the potential to transform the field of pharmaceutical development.
Creating a new drug typically takes over ten years and can cost hundreds of millions to billions of euros, often accompanied by numerous failures along the way. Imagine if we could forecast a drug’s effects in the body before even starting laboratory trials, potentially compressing the lengthy process down to mere months.
Since drugs are made up of molecules, which are further composed of atoms, a quantum computer is essential to accurately replicate their behavior, as atoms follow quantum mechanics rules. This presents a significant challenge, as conventional computers—irrespective of their size—lack the capacity to process the extensive information with the required precision.
A dedicated group of physicists, computer scientists, and mathematicians at the University of Copenhagen’s Quantum for Life Centre has invested years in understanding how specialized quantum computers, known as quantum simulators, can be harnessed to predict the behavior of molecules.
Is size the major issue?
A primary issue for researchers in quantum computing is the limited size of current quantum computers. They can only simulate a small number of atoms, which is problematic because the complex molecules found in drugs can consist of millions of atoms.
Recently, the Quantum for Life team has made significant progress in addressing this challenge by devising a mathematical framework that simplifies programming quantum simulators, thereby enhancing their computing capabilities without increasing their size.
“Quantum simulators utilize not just quantum hardware, but also quantum software—essentially the guide for operating the quantum simulator. These new results represent a significant advancement in software, providing a far more effective method for scaling up existing hardware to tackle more complicated tasks,” explains Dylan Harley, the lead author of the research paper and a Ph.D. candidate at the Quantum for Life Centre.
The common belief has been that to enhance a quantum simulator, one would need to rebuild it from scratch. The newly developed quantum algorithm overcomes this barrier and is fundamental to the software. It incorporates a controlled level of noise among the simulated particles to ensure that the simulation proceeds smoothly, without getting stuck. This concept is versatile and can be applied across various types of quantum hardware, whether made from atoms, ions, or synthetic atoms like superconducting qubits.
Potential to Transform Drug Development
“Quantum technology holds great promise for crafting advanced medicines of the future. However, without effective scaling of quantum simulators, their practical applications remain limited. That’s why it’s crucial to determine how our quantum software can aid in this scaling process. Now, we possess a strategy to achieve this,” states Matthias Christandl, a professor of quantum theory and the leader of the Quantum for Life Centre.
Christandl emphasizes that the implications could be groundbreaking if researchers succeed in building an efficient quantum simulator:
“If we can leverage a computer to predict how a new drug will react in the human body before any trials, this could drastically transform the pharmaceutical development and testing process, significantly reducing the time needed to translate lab discoveries into treatments for patients.”
The next phase will be to apply the mathematical framework on quantum computing hardware.
