Quantum Computing Advances Promise Faster Drug Discovery and Materials Research
Quantum computing breakthroughs in China and new quantum chemistry software demonstrate potential to accelerate drug discovery, materials science, and complex molecular simulations from weeks to minutes.
Chinese scientists have observed and controlled a rare intermediate state in a quantum system, effectively slowing quantum chaos. Using the 78-qubit Chuang Tzu 2.0 superconducting processor, researchers demonstrated how a temporary stable phase can be extended or shortened.
The team identified a prethermalisation plateau, a brief period during which the system resists disorder before rapidly descending into full complexity. Careful adjustment of control sequences enabled scientists to tune the rate of quantum decoherence and control how information spreads. Findings, published in Nature, offer a potential window for preserving fragile quantum information. Longer coherence times could significantly improve the reliability of quantum computing and error correction methods.
Researchers say the work also highlights the advantage of quantum processors in simulating phenomena too complex for classical supercomputers. Applications may range from drug discovery and advanced materials research to next-generation secure communications.
A powerful quantum chemistry engine is now available that can help scientists tackle complex chemical problems. The Extreme-scale Electronic Structure System (EXESS) can perform more than 1 quintillion calculations per second to address questions in quantum chemistry. The new technology could drastically speed up research in drug discovery, materials science and other fields.
Quantum chemistry calculations play a major role in the development of new medicines and materials. For example, researchers use quantum chemistry simulations to understand how drugs interact with molecular binding sites in the body. That understanding can help researchers modify the drug molecule to optimize the speed and efficiency of that binding.
The amount of computing power needed scales exponentially with the number of atoms in the system. Accurately solving problems with large molecules such as proteins, which can contain thousands of atoms, quickly becomes untenable. EXESS operates 3,000 to 4,000 times faster than many other quantum chemistry software packages, opening up calculations with large molecules like proteins. There's no single innovation driving that huge increase, and it runs on conventional hardware — so no quantum computing is needed.
One way the team sped up calculations was by finding ways to run multiple operations at the same time. Many quantum chemistry algorithms are designed to operate in sequential steps. The team found ways to alter the algorithms or theoretical approaches to enable more processes to be run in tandem. The team implemented a technique known as molecular fragmentation, which breaks down a problem into smaller fragments, computes those fragments at the same time, and then stitches those pieces back together. That enabled them to speed up large calculations by running many smaller calculations at once.
There are calculations that would, in principle, take about a month that actually take closer to 12 minutes when run using EXESS. The company is currently focused on using EXESS for drug discovery, finding and optimizing interactions between medicines and the body or better understanding how existing drugs function and why people develop resistances to them. The company is offering free access for approved research projects. A limited version of the software is also available to the general public.
Drug discovery, developing new battery chemistries, materials simulations, and fraud detection are amongst some of the major applications for quantum computers. Quantum computing is highlighted to be a top contender amongst technology strategies and is continuing to be pushed by governments worldwide. The quantum computing market is estimated to exceed $21 billion by 2046, growing at a compound annual growth rate of 26.7%.
Continued development of larger and more powerful quantum chips is now underway. Mastering such transitional states will be crucial to unlocking the full potential of quantum technologies.