Top Material Informatics Companies - Mat3ra (US), Schrödinger (US), Dassault Systèmes (France) are the Key Players

Material Informatics Companies - Schrödinger, Inc. (US) and Dassault Systèmes (France) are the Key Players

The global material informatics market size is projected to grow from USD 170.4 million in 2025 to USD 410.4 million in 2030, recording a CAGR of 19.2% during the forecast period. The material informatics market is growing rapidly as the demand for sustainability initiatives and the need for eco-friendly materials are encouraging companies to leverage predictive analytics for developing alternatives with reduced environmental impact. The key drivers of the materials informatics market include the increasing adoption of artificial intelligence and machine learning in materials science to accelerate research and development processes. 

Schrödinger, Inc. (US), Dassault Systèmes (France), Exabyte Inc. (US), Citrine Informatics (US), Phaseshift Technologies (Canada), AI Materia (Canada), Hitachi High-Tech Corporation (Japan), Kebotix, Inc. (US), Materials Design, Inc. (US), and MaterialsZone (Israel) are some of the key players in the material informatics market.

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Major Material Informatics companies include:

  • Schrödinger, Inc. (US)
  • Dassault Systèmes (France)
  • Exabyte Inc. (US)
  • Citrine Informatics (US)
  • Phaseshift Technologies (Canada)
  • AI Materia (Canada)
  • Hitachi High-Tech Corporation (Japan)
  • Kebotix, Inc. (US)
  • Materials Design, Inc. (US)
  • MaterialsZone (Israel)

Schrödinger, Inc.

Schrödinger, Inc. provides chemical simulation software solutions to customers in the pharmaceuticals industry. The company operates through two business segments: Software and Drug Discovery. Under the Software segment, it offers software solutions to materials science companies and transforms drug discovery across the life sciences industry. The Drug Discovery segment offers a diverse portfolio of preclinical and clinical programs carried out internally or through collaborations, from discovery to development stages. Both segments meet the requirements of customers in the material informatics market by offering various products under three categories: small drug discovery products, biologics drug discovery products, and materials science products. Schrödinger, Inc.’s physics-based software platform enables rapid and low-cost discovery of high-quality, novel molecules for drug development and materials applications. Biopharmaceutical and industrial companies, academic institutions, and government laboratories worldwide use the software platform. The company serves various industries, including semiconductor, chemical, electronics, energy, and pharmaceutical. It has approximately 850 employees and is engaged with customers and collaborators in over 70 countries.

Dassault Systèmes

Dassault Systèmes is one of the leading players specializing in providing software and services based on a collaborative 3D platform. The company operates through software and services segments and serves end users from three main sectors: manufacturing, life sciences & healthcare, and infrastructure & cities. It has developed a broad portfolio of 3DEXPERIENCE software applications through different brands to serve its customers. It offers its product portfolio through 12 brands: CATIA, BIOVIA, GEOVIA, SOLIDWORKS, 3DVIA, ENOVIA, NETVIBES, CENTRICPLM, MEDIDATA, 3DEXCITE, SIMULA, and DELMIA. Products offered through these brands comprise 3D modeling applications, simulation applications creating virtual twins of products or production systems, social and collaborative applications, and information intelligence applications. Dassault Systèmes fulfills the requirements of customers from the material informatics market through its BIOVIA brand product portfolio. BIOVIA offers a scientific management environment to various customers in the field of biology, chemical, and material innovations. Its portfolio integrates the diversity of science, experimental processes, and information requirements across research, development, quality assurance (QA)/quality control (QC), and manufacturing. Under the BIOVIA brand, it offers solutions that feature scientific informatics, molecular modeling/simulation, data science, laboratory informatics, formulation design, biopharma quality and compliance, and manufacturing analytics.

Exabyte, Inc. (Mat3ra)

Exabyte Inc. (Mat3ra) is a cloud-native digital materials R&D platform provider that designs structures, runs simulations, and builds models. The company’s cloud-based software provides simulation tools and platforms for developing new materials. It is involved in providing end-to-end material modeling platforms, computer simulation tools, and data that allow its users to design new compounds and run physics-based and machine-learning models. Its material modeling platform allows its customers to increase the impact of high-end simulations, allows materials scientists to design and prototype new compounds rapidly and cost-effectively, and accelerates R&D in material development. Simulations provided by Mat3ra enable materials scientists and engineers in academic and industrial sectors to rapidly adopt and deploy various modeling techniques to develop new materials at a faster rate. The company serves energy, semiconductor, and manufacturing, among other industries. Mat3ra uses software-driven approaches to continue R&D on different materials and chemicals. This prompts nearly 2,000 companies and universities worldwide to opt for the company’s offerings, making it the next standard in materials modeling and analysis processes. It also has a network of partners, including Impulse Technology (India) and ITOCHU Techno-Solutions Corporation (Japan).

Citrine Informatics

Citrine Informatics is one of the key players providing a material informatics platform. The company is a global player and serves various industries, such as materials and chemicals. The patented AI-proven Citrine software technology facilitates formulation development and capability mapping in materials science and chemical applications. It focuses on material informatics by working on different projects across material types, formulations, and specialty and commodity chemicals. It also partners with commercial, government, and academic organizations, such as ADAPT, Carnegie Mellon University, Colorado School of Mines, SLAC, NIST, and UC Berkeley, to manage their data and accelerate material R&D with machine learning. It also provides data management, machine learning, and analysis expertise to enable an accelerated assessment of a broader field of material candidates. Three technology patents have enhanced Citrine Informatics’ position in material informatics and advanced the field through R&D, collaboration, and education

Phaseshift Technologies

Phaseshift Technologies has been among the world’s leading material informatics platform providers for different material alloys. The company develops highly specialized and advanced alloys using computational chemistry (CC) workflows and machine learning (ML) models. It also provides a platform to accelerate alloy R&D through computational material engineering, material discovery, computational modeling design optimization, and process optimization. Phaseshift Technologies offers a data-driven platform with an AI-driven material discovery algorithm, simulation toolkit, and process modeling features. This platform is used to identify processing parameters that produce a material desirable for a specific application. Its simulations are built to run virtual experiments and measure various material properties (structural and functional). The simulations are also used to generate synthetic data to address data scarcity problems in the field of materials science. Phaseshift Technologies offers different workflows and processes required for alloy R&D and is packaged as a platform to enable researchers with no formal training in machine learning or computational chemistry.

Company Evaluation Matrix: Key Players, 2024

The company evaluation matrix provides information about key players in the material informatics market and outlines the findings and analysis of the performance of each company within the evaluation criteria. This matrix categorizes companies into four distinct segments: Stars, Emerging Leaders, Participants, and Pervasive Players.

Material Informatics Market

Market Ranking

The market ranking for key companies such Schrödinger, Inc., Dassault Systèmes, Exabyte Inc., Citrine Informatics, and Phaseshift Technologies is based on several key determinants, which include market share, product portfolio, technological innovation, industry applications & collaborations, and global presence. A strong geographical presence, with manufacturing facilities and distribution networks, further enhances a company's market standing. For instance, Schrödinger, Inc. is included in one of the star payers. Schrödinger, Inc. possesses a portfolio of over 20 patents related to its software and computational techniques, strengthening its competitive position in licensing agreements and strategic collaborations. These intellectual property assets encompass advanced technologies utilized in drug discovery, enabling substantial cost reductions and enhancing research efficiency. Citrine Informatics provides end-to-end services covering the entire chemical development lifecycle, from data collection to product optimization. The company has established strategic partnerships with leading chemical manufacturers and research institutions, enabling knowledge exchange and access to advanced technology. Notably, its collaboration with BASF has strengthened Citrine’s market presence and credibility.

Related Reports:

Material Informatics Market by Material (Chemicals, Superalloys, Solid-state Electrolytes, Composites), Technique (Statistical Analysis, Genetic Algorithm), Application (Materials Discovery, Product Development) and Region - Global Forecast to 2030

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Material Informatics Market Size,  Share & Growth Report
Report Code
SE 8562
RI Published ON
2/27/2025
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