10 Emerging AI Solutions for Material Science [2025]

From biocompatible implants to low-carbon concrete and smart textiles, startups are leveraging artificial intelligence (AI) solutions for material science to accelerate innovation and sustainability. Machine learning, digital twins, and quantum computing are enabling faster simulations, precise material predictions, and reduced development cycles.

This article showcases 10 growing startups delivering cutting-edge AI solutions for material science. Whether you’re in aerospace, biotechnology, energy, or fashion tech, these innovators are reshaping what’s possible in material design, performance optimization, and industrial applications.

Global Startup Heat Map highlights AI Solutions for Material Science Startups to Watch

Through the Big Data & Artificial Intelligence (AI)-powered StartUs Insights Discovery Platform, covering over 7M+ startups, 20K+ technology trends plus 150M+ patents, news articles & market reports, we identified 1850+ AI solutions for material science startups.

The Global Startup Heat Map below highlights the 10 AI solutions for material science startups you should watch in 2025, as well as the geo-distribution of 1850+ startups & scaleups we analyzed for this research.

According to our data, we observe high startup activity in the USA and the UK, followed by India. The top 5 Startup Hubs for AI Material Science Companies are San Francisco, London, New York City, Bangalore, and Singapore.

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Explore Emerging AI-based Material Science Startups to Watch in 2025

We hand-picked startups to showcase in this report by filtering for their technology, founding year, location, funding, and other metrics.

These AI solutions for Material Science startups work on solutions ranging from predictive material simulations and polymer synthesis to digital fabric twins and quantum AI.

1. Elytra Biomaterials – ML-powered Biomaterials
2. Futur-AI – Aerospace Component Traceability
3. 4Point AI – Critical Mineral Discovery
4. Atomic Tessellator – Generative AI for Material Simulations
5. Synboli – AI for Polymer Design & Synthesis
6. AiScia Informatics – Quantum AI-based Chemical Discovery
7. NunoX – Digital Twin Technology for Fabrics
8. Re-Block – AI-based Casting Material System
9. N-ERGY – Materials for Nuclear & Space Applications
10. Planck Technologies – MOF-based Energy Storage Materials

1. Elytra Biomaterials

• Founding Year: 2023
• Location: Montreal, Canada
• Use For: ML-powered Biomaterials

Canadian startup Elytra Biomaterials leverages machine learning to create eco-friendly materials. It deploys neural networks to shorten the development cycles of biomaterials through rapid iteration.

One of its products, ChitoLayer, is derived from chitosan. ChitoLayer serves as an interface between the user and their prosthetic device that enhances integration to prevent unfavorable reactions.

The startup also develops biocompatible layers that increase the safety of invasive medical implants. This extends the implant lifespan and minimizes immune reactions and rejection.

2. Futur-AI

• Founding Year: 2024
• Location: Monteprandone, Italy
• Use For: Aviation and Aerospace Component Manufacturing

Italian startup Futur-AI develops a traceability system for composite material components in the space and aerospace industries. The system records production data, environmental exposures, and stress events for each component throughout its lifecycle.

Its machine learning algorithm analyzes this data to predict maintenance schedules and optimize component longevity. The startup further integrates its AI algorithms with blockchain technology to ensure data immutability, security, and traceability. The system also tracks carbon emissions across the supply chain.

3. 4Point AI

• Founding Year: 2024
• Location: New York City, NY, USA
• Use For: Critical Mineral Discovery

US-based startup 4Point AI offers predictive AI/ML models for mineral discovery. Its geophysical mapping platform, SSAI-1, detects gold, copper, nickel, lithium, and rare earth mineral deposits across different terrains. It then generates predictive maps to highlight mineral-rich areas.

This allows mining and exploration companies to evaluate the potential of a site before physical exploration. It also reduces time-to-discovery and improves drill accuracy.

4. Atomic Tessellator

• Founding Year: 2024
• Location: Auckland, New Zealand
• Use For: Material Simulations

New Zealand-based startup Atomic Tessellator provides a cloud-based material discovery platform for small-molecule chemistry and materials science industries. The platform automates graphics processing unit (GPU)-accelerated workflows without system administration.

It deploys generative AI to suggest new material structures and hypotheses. The visual insights facilitate rapid testing of hypothesis permutations and enable faster material discovery by reducing the simulation times.

5. Synboli

• Founding Year: 2024
• Location: Bordeaux, France
• Use For: Polymer Discovery and Synthesis

French startup Synboli develops an AI-driven platform for the discovery and synthesis of novel vinylic polymers. It combines a proprietary photo-activation technology and AI algorithms to design polymer structures and predict their properties to accelerate new polymer discovery.

This allows industries like packaging, construction, textiles, transportation, healthcare, and household goods to create custom polymers quickly.

Want to Explore 1850+ AI-based Material Science Startups & Scaleups?

6. AiScia Informatics

• Founding Year: 2024
• Location: Doha, Qatar
• Use For: AI-powered Chemical Discovery

Qatar-based startup AiScia Informatics facilitates AI-powered discovery of chemicals and materials. Leveraging quantum computing, its AIMater platform offers open, web-based access to large databases of computed information on known and predicted materials.

This offers researchers, scientists, and engineers abundant data for experimenting and designing novel materials. Another platform, CollaborationHub, provides a shared space for material experts to collaborate and exchange ideas, thereby leading to accelerated materials innovation.

7. NunoX

• Founding Year: 2024
• Location: Tainan, Taiwan
• Use For: Fabric Digital Twin

Taiwanese startup NunoX creates digital textile twins by integrating AI and 3D scanning technology. Its NX Suite material management software allows designers to batch-scan several fabrics simultaneously.

It optimizes auto-tiling and allows users to organize fabric swatches digitally, giving access from any device. Another product, NX Drape, is a simulation tool that predicts fabric behavior with AI. These tools enable fashion designers, textile manufacturers, and digital artists to visualize how textiles behave in the real world and develop accordingly.

8. Re-Block

• Founding Year: 2024
• Location: London, UK
• Use For: AI-based Casting Material System

UK-based startup Re-Block offers AI-driven low-carbon concrete for interior applications. It repurposes solid waste, like fly ash, red mud, phosphogypsum, steel slag, and construction waste, into concrete.

It deploys a proprietary curing technique along with AI visualization for faster curing than traditional concrete. This provides luxury brands, retail, construction, and creative industries with a sustainable alternative to decorative concrete.

9. N-ERGY

• Founding Year: 2024
• Location: Cambridge, MA, USA
• Use For: Materials Discovery for Nuclear and Space Applications

US-based startup N-ERGY specializes in AI-driven material discovery for the defense, space, electronics, and nuclear industries. Its AI platform analyzes several material combinations to indicate top candidates for real-world testing.

The startup physically tests the performance of these top candidates under radiation, heat, and mechanical stress instead of relying solely on computer simulations. This experiment’s data is fed back to the AI for better future prediction.

By integrating AI with real-world testing, the startup’s approach reduces the time and cost associated with material selection and allows industries to innovate faster.

10. Planck Technologies

• Founding Year: 2023
• Location: Oslo, Norway
• Use For: Energy Storage Materials

Norwegian startup Planck Technologies enables AI-based material discovery for energy storage. Using computational chemistry and AI software, the startup evaluates metal-organic frameworks (MOFs) based on their innate properties and performance.

This ensures that the selected MOFs meet the technical, economic, and environmental standards required for energy storage, hydrogen storage, as well as carbon capture applications.

Discover All Emerging Materials Startups

The materials startups showcased in this report are only a small sample of all startups we identified through our data-driven startup scouting approach. Download our free Materials Innovation Report for a broad overview of the industry or get in touch for quick & exhaustive research on the latest technologies & emerging solutions that will impact your company in 2025!