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Integrating Quantum Computing into Sustainable Carbon-Capture Materials Research: Opportunities and Perspectives

Ilse María Hernández-Romero, Isaac Oliva-González, Oscar Daniel Lara‐Montaño, Karina Hernández-Romero, Gerardo Geovanni Esquivel-Patiño, Oxana Vasilievna Kharissova, Aldo Iván Ramírez Orozco, Lucy T. González

Published Jan 1, 2026• 0 citations
Publisher
DOI
10.1007/978-3-031-87501-4_60-1

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Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials development, but they face scaling and time-complexity limitations, particularly for high-dimensional or strongly correlated material systems. Quantum computing (QC) promises to offer a paradigm shift by exploiting quantum bits with their superposition and entanglement to address challenging problems intractable for classical approaches. This perspective discusses the opportunities in leveraging QC to advance energy materials research and the challenges QC faces in solving complex and high-dimensional problems. We present cases on how QC, when combined with classical computing methods, can be used for the design and simulation of practical energy materials. We also outline the outlook for error-corrected, fault-tolerant QC capable of achieving predictive accuracy and quantum advantage for complex material systems.
The escalating impacts of climate change and the increasing demand for sustainable development and natural resource management necessitate innovative technological solutions. Quantum computing (QC) has emerged as a promising tool with the potential to revolutionize these critical areas. This review explores the application of quantum machine learning and optimization techniques for climate change prediction and enhancing sustainable development. Traditional computational methods often fall short in handling the scale and complexity of climate models and natural resource management. Quantum advancements, however, offer significant improvements in computational efficiency and problem-solving capabilities. By synthesizing the latest research and developments, this paper highlights how QC and quantum machine learning can optimize multi-infrastructure systems towards climate neutrality. The paper also evaluates the performance of current quantum algorithms and hardware in practical applications and presents realistic cases, i.e., waste-to-energy in anaerobic digestion, disaster prevention in flooding prediction, and new material development for carbon capture. The integration of these quantum technologies promises to drive significant advancements in achieving climate resilience and sustainable development.