Materials science and engineering are enhanced by the application of data science and informatics principles, which are used in the materials informatics market to enhance material understanding, utilization, development, and discovery. The ever-evolving field of material informatics is leveraging even more deliberately with the integration of data-driven techniques. The material informatics market is observed to expand with its major potential to accelerate the creation of new materials while optimizing existing ones for various applications. Emergence of new key players, technological advancements, and demand for innovative solutions create lucrative opportunities for the market to grow.
Industries such as automotive, electronics, energy and power, healthcare, pharmaceuticals and semiconductors hold immense demand for material discovery while reducing the overall cost and addressing global challenges. Material informatics here, can be used to develop new materials with light-weight properties, enhanced performance and sustainability.
The global materials informatics market size is calculated at USD 305.98 million in 2025 and is projected to be worth around USD 1,896.31 million by 2034 with a CAGR of 22.54% over the forecast period 2025 to 2034.
8 Major Applications of Materials Informatics
AI in Material Informatics: What’s Next?
The integration of artificial intelligence has already changed the paradigm of industries. Similarly, the generative advanced tools hold prime opportunity of offering unprecedented developments to the material informatics industry. The requirement for the integration of AI has been felt to create new materials with even precise characteristics. Artificial intelligence and machine learning algorithms identify patterns and relationships within data that are difficult to discernible through traditional methods. AI algorithms are observed to analyze multiple compositions and data while promising sustainable creation of high-performance materials.
While dramatically transforming the industry of material informatics, the integration of AI offers a closer look for high-throughput screening, predictive analytics, optimization of algorithms, enhancing accuracy and error reduction. Driving innovation, AI has facilitated the discovery of novel materials with unique properties, such as lightweight alloys for multiple industries including aerospace.
Powerful Impacts of AI in Material Informatics
| Application of AI | Instance | Impact of Material Discovery |
| Error reduction | Biodegradable polymers for packaging sector | Lowers errors by 25% |
| Optimization of algorithms | High-efficiency batteries for electric vehicles | Improves properties by 20% |
| Predictive analytics | Advanced solar cell materials | Increases accuracy by 30% |
| High-throughput screening | Chemical processes with new catalysts | Reduces discovery time by 50% |
Creation of Sustainable Polymers: Kebotix’s Integration of AI
Kebotix, a company that integrates machine learning with automated experimentation, focuses on utilizing AI to develop new materials. In order to develop sustainable polymers for consumer goods industry, in 2023, Kebotix employed AI experimentation platforms.
The project done in 2023, resulted in the development of biodegradable polymers that met the mechanical properties required for packaging industry. The efforts done with the integration of artificial intelligence conveyed the potential of material informatics to address environmental challenges, especially in the packaging industry.
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In recent years, several key players and research institutions have paved their way in material informatics. Following case studies dive deep into the solutions and innovations while conveying the support material informatics has offered for multiple industries.
Major Potential for Aerospace Sector: Citrine’s Innovations of Components
A major leading company in material informatics, offering a platform for aerospace, automotive and consumer goods industries with the combination of AI driven domains, Citrine Informatics, in 2022, announced its partnership with a leading aerospace manufacturer. While utilizing Citrine’s material informatics’ platform, the collaboration was able to identify new alloy compositions that fulfilled regulatory requirements too. The developed material is observed to enhance the fuel efficiency of the aircraft.
High-Performance Batteries: Potential for Automotive Sector
Being at the forefront of material informatics, IBM Research had leveraged its expertise in AI and data analytics. The company in 2023, initiated its efforts in order to develop high-performance battery materials for electric vehicles. This innovative approach by IBM Research boosted its expertise in AI modeling to predict and analyze properties of various electrodes.
Talking about the outcomes, these efforts led to the discovery of new electrode materials to offer energy density while supporting the automotive manufacturers to produce longer-lasting electric vehicles.
Chemical Processes to Get Boost: MedeA’s Approach and Outcomes
Material Design, Inc. a company that offers software-based solutions for material informatics with its prominent platform, MedeA approached to offer high-performance catalysts for chemical manufacturing. In 2022, the company used MedeA to simulate multiple catalysts to analyze different chemical reactions. This project highlighted the effectiveness of material informatics in chemical processes while creating new catalysts that can reduce the overall cost of chemical manufacturing and address environmental impacts.
Asia Pacific is observed to hold the largest share while sustaining the position in the upcoming decade. The region, with its technological advancements and industrial base, is emerging as a significant player in this transformative market. As countries like Japan, China, India and South Korea continue to harness the power of sustainable creation of materials with big data, AI and advanced industrial capabilities, the region will be set to offer new standards in material innovation. The next decade is observed to be critical as these nations emphasize on research frameworks, driving sustainable growth and technological breakthroughs.
| Country | Focused Sectors | Annual R&D investments (Approx.) | Key Projects |
| Japan | Automotive, electronics and manufacturing | $1 billion | Toyota using material informatics for advanced batteries |
| India | Advanced manufacturing, semiconductors and automotive | $100 million | Invested more than $100 in startups in last two years |
| China | Energy and manufacturing | $500 million | Invested over $500 million in material informatics in last three years |
| South Korea | Advanced manufacturing and automotive | $300 million | Made over 30 collaborative projects between tech companies and universities |
China, known to be the largest shareholder of the material informatics market in the Asian region, holds immense potential to offer discovery, innovation and cutting-edge solutions while combing data analytics, artificial intelligence and machine learning. China’s strategic investments, government initiatives and industrial collaborations create ability to lead the global market in the upcoming era. The transformative impact of material informatics in China serves as a compelling model for other nations.
Major Government Initiatives:
China’s Growth in Investment and Funding (2020-2023)
| Year | Investment and Funding ($ billion) | Increased rate (%) |
| 2020 | 2.5 $ billion | - |
| 2021 | 3.0 $ billion | 20% |
| 2022 | 4.2 $ billion | 40% |
| 2023 | 5.5 $ billion | 31% |
The demand for innovative materials and the use of material informatics are driven by the region's broad industrial base, which includes the aerospace, automotive, electronics, and energy industries. Additionally, the area has led the way in technological advancements, particularly in computational methods and machine learning algorithms, which are essential to material informatics.
In an effort to address the scientific and technical (S&T) issues that underlie supply chain vulnerabilities, the U.S. Department of Energy (DOE) has financed basic and applied research and development (R&D) pertaining to essential materials for more than ten years.
The average range of electric vehicles (EVs) sold in the United States has also increased quickly, rising from roughly 155 miles in 2015 to nearly 300 miles in 2022. Key components like neodymium-iron-boron (NdFeB) magnets and lithium-ion (Li-ion) batteries (LIBs) are under pressure due to the sharp increase in sales of electric vehicles. By 2030, sales of electric vehicles (EVs) are predicted to rise by 30–35% among passenger cars as consumer preferences are predicted to change from internal combustion engines (ICEVs) to EVs.
Material Prediction Property Drives the Materials Informatics Market
The ability of material informatics to forecast material properties more accurately is one of its main benefits. Material characterization tests are typically costly, time-consuming and have narrow scope. In contrast, material informatics enables researchers to virtually predict the properties of large databases of materials and screen them quickly, saving a significant amount of time and money. Scientists may concentrate their experimental efforts on the most promising candidates thanks to this expedited property prediction, which speeds up the cycles involved in the discovery of new materials.
Lack of Data Availability and Quality Restraints the Materials Informatics Market
A lot of material informatics depends on well-selected and high-quality data. However, because data may come from a variety of sources with differing degrees of accuracy and consistency, maintaining data quality can be difficult. Furthermore, not all pertinent material data might be easily accessible, which could restrict the range and precision of computational models.
Digital Twins: Future Projection for the Material Informatics Market
As more data on materials becomes available, digital twin models and virtual materials design will be used more often. Scientists won't have to rely just on actual testing to construct virtual models of materials, simulate their behavior under various conditions, and forecast their performance. For instance, in March 2024, a novel digital twin created by researchers at the Technical University of Madrid (UPM) and the IMDEA Materials Institute allows for the real-time study of the production of composite materials.
Thanks to the newly built digital twin, manufacturers will be able to see into composite materials as they are being made, which will make early fault identification easier. Digital twins have the ability to significantly reduce energy and material waste, increase productivity, and guarantee component quality in the manufacturing sector.
The material informatics market is all set for significant growth, driven by government initiatives, technological advancements and expansion of end-user industries. Major key players including IBM Research, Materials Design, Exabyte and Citrine Informatics lead the way in creating innovative solutions in areas including Europe and Asia. As this material informatics market rises, there will be bring the development of sustainable and eco-friendly materials along with sophisticated catalysts, light-weight alloys and many more.
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