Fraunhofer Institute for Mechanics of Materials IWMUV-induced aging of polymers presents a significant challenge in numerous industries - from automotive and packaging to construction. The QPolyDeg project is the first to use quantum computing to simulate the molecular mechanisms of UV-induced polymer degradation at the quantum-chemical level. Through the development of novel, non-variational quantum algorithms, the project aims to calculate energy spectra of fermionic systems that are highly challenging for classical computers. The results will enable a profound understanding of aging processes and open new avenues for the targeted development of longer-lasting polymer materials.
Quantum Computing for the Simulation of Ultraviolet (UV)-Induced Polymer Degradation
Ongoing research project
Project description
One of the greatest challenges in the use of polymers is aging caused by ultraviolet (UV) radiation: It leads to embrittlement, discoloration and the loss of mechanical properties, resulting in high costs due to materials failure, maintenance and premature replacement. A deep understanding of the molecular degradation mechanisms is key to developing longer-lasting and more sustainable plastic products - however, classical simulation methods currently offer limited representation of the underlying quantum chemical processes. In this context, the QPolyDeg joint research project leverages - for the first time - quantum computing to simulate UV-induced polymer degradation at the fundamental quantum mechanical level.
Fraunhofer IWM subproject:
Fraunhofer IWM is developing novel, non-variational quantum algorithms for calculating fermionic energy spectra. Compared to the variational approaches commonly used today, these algorithms promise greater accuracy and robustness in describing electronic excited states, which play a central role in photochemical degradation processes.
Based on this project work, Fraunhofer IWM can offer industrial companies the following new R&D services:
- Quantum chemical simulation of aging and degradation processes in polymers
Prediction of UV-induced degradation processes at the molecular level and virtual derivation of stable materials formulations before conducting time-consuming long-term tests. - Non-variational quantum algorithms for materials modeling
Adaptation of the developed quantum algorithms to other materials science problems, such as calculating the electronic properties of functional materials, catalysts or semiconductors. - Assessment of the potential of quantum computing for industrial materials problems
Evaluation of the specific materials and process questions for which quantum computing offers genuine added value compared to classical simulation methods. - Development of Tailored Quantum Simulation Workflows
Establishing customized simulation pipelines that combine classical and quantum-based computational methods, thereby providing early access to the benefits of quantum computing.
