Researchers have successfully developed a quantum microprocessor chip for molecular spectroscopy simulation of actual large-structured and complex molecules in a world-first achievement.
Quantum simulation enables scientists to simulate and study complex systems that are challenging or even impossible using classical computers across various fields, including financial modelling, cybersecurity, pharmaceutical discoveries, AI and machine learning.
For instance, exploring molecular vibronic spectra is critical in understanding the molecular properties in molecular design and analysis. However, it remains a long-standing computationally difficult problem that cannot be efficiently solved using traditional super-computers.
Researchers are working on quantum computers and algorithms to simulate molecular vibronic spectra. However, they are limited to simple molecule structures, as they struggle with low accuracy and inherent noise.
Quantum microprocessor chip
Engineering researchers at The Hong Kong Polytechnic University (PolyU) have now successfully developed a quantum microprocessor chip for molecular spectroscopy.
Capturing quantum effects accurately requires meticulously developed simulations that account for quantum superposition and entanglement, which are computationally intensive to model classically.
This cutting-edge technology paves the way to solving complicated quantum chemistry problems, including quantum computational applications which are beyond the capabilities of classical computers.
Dr Hui Hui Zhu, Postdoctoral Research Fellow of the Department of Electrical and Electronic Engineering and the first author of the research paper, and team, have experimentally demonstrated a large-scale quantum microprocessor chip and introduced a nontrivial theoretical model.
The model employs a linear photonic network and squeezed vacuum quantum light sources to simulate molecular vibronic spectra, and the 16-qubit quantum microprocessor chip is fabricated and integrated into a single chip.
A complete system has been developed, including the hardware integration of optical–electrical–thermal packaging for the quantum photonic microprocessor chip and electrical control module, software development for device drivers, a user interface, and underlying quantum algorithms which are fully programmable.
The quantum computer system developed provides a fundamental building block for further applications.
Applications
The quantum microprocessor can be applied to solving complex tasks, such as simulating large protein structures or optimising molecular reactions with significantly improved speed and accuracy.
Dr Zhu commented: “Our approach could yield an early class of practical molecular simulations that operate beyond classical limits and hold promise for achieving quantum speed-ups in relevant quantum chemistry applications.”
Quantum technologies are crucial in scientific fields, including material science, chemistry and condensed matter physics. As an attractive hardware platform, the quantum microprocessor chips present a promising technological alternative for quantum information processing.
The research findings and the resulting integrated quantum microprocessor chip developed open significant new avenues for numerous practical applications.
These applications include solving molecular docking problems and leveraging quantum machine learning techniques like graph classification.
“Our research is inspired by the potential real-world impact of quantum simulation technologies. In the next phase of our work, we aim to scale up the microprocessor and tackle more intricate applications that could benefit society and industry,” said team lead Professor Ai-Qun Liu, Chair Professor of Quantum Engineering and Science and Director of the Institute for Quantum Technology (IQT), Global STEM Scholar and Fellow of Singapore Academy Engineering.
The team has introduced a groundbreaking development in quantum technology by successfully tackling the highly challenging task of molecular spectroscope simulation using a quantum computing microprocessor – marking a significant advancement in quantum technology and its potential quantum computing applications.
The research is published in Nature Communications.
