Best Materials Science Software in the UK
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Compare the Top Materials Science Software in the UK as of June 2025
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What is Materials Science Software in the UK?
Materials science software is designed to help scientists, engineers, and researchers analyze, model, and simulate the properties and behaviors of different materials. These tools are used to explore the relationship between a material's structure, its properties, and its performance under various conditions. Materials science software typically includes capabilities for molecular dynamics simulations, finite element analysis (FEA), and materials property databases, enabling users to predict how materials will behave in real-world applications. It is widely used in industries such as aerospace, automotive, electronics, and energy, where the development of new materials with specific characteristics is critical. By offering insights into the design and behavior of materials, these tools accelerate innovation, improve product quality, and reduce the risk of material failure. Compare and read user reviews of the best Materials Science software in the UK currently available using the table below. This list is updated regularly.
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COMSOL Multiphysics
Comsol Group
Simulate real-world designs, devices, and processes with multiphysics software from COMSOL. General-purpose simulation software based on advanced numerical methods. Fully coupled multiphysics and single-physics modeling capabilities. Complete modeling workflow, from geometry to postprocessing. User-friendly tools for building and deploying simulation apps. The COMSOL Multiphysics® software brings a user interface and experience that is always the same, regardless of engineering application and physics phenomena. Add-on modules provide specialized functionality for electromagnetics, structural mechanics, acoustics, fluid flow, heat transfer, and chemical engineering. Choose from a list of LiveLink™ products to interface directly with CAD and other third-party software. Deploy simulation applications with COMSOL Compiler™ and COMSOL Server™. Create physics-based models and simulation applications with this software platform. -
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ProSteel
Bentley
With ProSteel software you can efficiently create accurate 3D models for structural steel, metal work, and steel assemblies. You can then quickly generate design drawings, fabrication details, and schedules that automatically update whenever the 3D model changes. Additionally, detailed output to CNC machines automates the steel fabrication process. ProSteel fully supports your construction and planning tasks for structural steel and metal work in a 3D modeling environment. Working with AutoCAD or MicroStation, you get an intuitive and integrated multi-material modeler perfectly suited to layout complex structures, produce shop drawings, assemble all your connections, and manage your bills of materials. Quickly extract 2D drawings that automatically update when the 3D model changes. Easily exchange information with other disciplines thanks to interoperability with other Bentley and third-party applications.Starting Price: $4,193 per year -
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Grantu EduPack
Ansys
Ansys Granta EduPack, formerly CES EduPack, is a unique set of teaching resources that help academics enhance courses related to materials across engineering, design, science and sustainable development. Granta EduPack provides support to enhance undergraduate materials education. EduPack includes a database of materials and process information, materials selection tools and a range of supporting resources. EduPack is divided into three levels so that students can access a suitable level of information as they progress through their studies. Granta EduPack has also been designed to support a wide variety of teaching styles, from the design and science-led approaches to problem-based teaching. The database and tools are divided into three levels so that students can access a suitable level of information as they progress through their studies, from pre-university up to postgraduate courses. -
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Ansys Lumerical Multiphysics is a photonics component simulation software that enables the seamless design of photonic components by capturing multiphysics effects, including optical, thermal, electrical, and quantum well interactions, within a unified design environment. Tailored for design engineering workflows, this intuitive product design software offers a fast user experience, facilitating rapid design exploration and providing detailed insights into real-world product performance. It combines live physics and accurate high-fidelity simulation into an easy-to-use interface, supporting faster time-to-market. Key features include a finite element design environment, integrated multiphysics workflows, comprehensive material models, and capabilities for automation and optimization. The suite of solvers and seamless workflows in Lumerical Multiphysics accurately capture the interplay of physical effects in modeling both passive and active photonic components.
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FactSage
FactSage
FactSage is a comprehensive thermochemical software and database package developed jointly by Thermfact/CRCT (Montreal, Canada) and GTT-Technologies (Aachen, Germany). It integrates thermochemical packages, resulting from over 20 years of collaborative efforts. It comprises a series of information, database, calculation, and manipulation modules that access various pure substances and solution databases. FactSage is utilized by numerous industrial, governmental, and academic users in fields such as materials science, pyrometallurgy, hydrometallurgy, electrometallurgy, corrosion, glass technology, combustion, ceramics, and geology. Users have access to thermodynamic data for thousands of compounds, as well as evaluated and optimized databases for hundreds of solutions, including metals, oxides, slags, mattes, salts, and aqueous solutions. -
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Digimat
e-Xstream engineering
e-Xstream engineering develops and commercializes the Digimat suite of software, a state-of-the-art multi-scale material modeling technology that speeds up the development process for composite materials and structures. Digimat is a core technology of 10xICME Solution and is used to perform detailed analyses of materials on the microscopic level and to derive micromechanical material models suited for multi-scale coupling of the micro- and macroscopic level. Digimat material models provide the means to combine processing simulation with structural FEA. This means to move towards more predictive simulation by taking into account the influence of processing conditions on the performance of the finally produced part. As an efficient and predictive tool Digimat helps its users to design and manufacture innovative composite materials and parts with great efficiency in time and costs. -
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GENOA 3DP
AlphaSTAR
GENOA 3DP is an Additive Manufacturing design tool and software suite for polymers, metals and ceramics. The simulate to print toolset showcases robust capabilities and seamless user interactivity making it a suitable solution for various applications. Providing users with accuracy down to the micro-scale and reducing material waste & engineering time considerably, GENOA 3DP can quickly be integrated into any process for an optimum AM build. Founded on progressive failure analysis methods, and combined with multi-scale material modeling, GENOA 3DP allows engineers to accurately predict void, net-shape, residual stress, crack growth and other anomalies associated with as-built AM parts. Providing a repeatable methodology to improve part quality, reduce scrap rate, and meet specification, GENOA 3DP bridges the gap between material science and finite element analysis. -
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Ansys LS-DYNA
Ansys
Ansys LS-DYNA is the industry-leading explicit simulation software used for applications like drop tests, impact and penetration, smashes and crashes, occupant safety, and more. Ansys LS-DYNA is the most used explicit simulation program in the world and is capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models and other controls can be used to simulate complex models with control over all the details of the problem. LS-DYNA delivers a diverse array of analyses with extremely fast and efficient parallelization. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. -
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Ansys Autodyn
Ansys
Simulate the response of materials to events ranging from short duration severe mechanical loadings, high pressures and even explosions. Ansys Autodyn provides advanced solution methods without compromising ease of use. Ansys Autodyn makes it easy to quickly understand and simulate large material deformation or failure. Autodyn has a range of models to represent complex physical phenomena such as the interaction of liquids, solids and gases; the phase transitions of materials; and the propagation of shock waves. By Integrating within Ansys Workbench and its own native-user interface, Ansys Autodyn has long led the industry in ease of use, enabling you to produce accurate results with the least amount of time and effort. The smooth particle hydrodynamics (SPH) solver completes the picture to provide everything needed for explicit analysis. Ansys Autodyn lets you select from different solver technologies so the most effective solver can be used for a given part of the model. -
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Ansys Granta
Ansys
The market-leading Ansys Granta products have been developed over 25 years to enable you to capture, safeguard and capitalize on your organization’s Material Intelligence. Ansys helps businesses digitalize their company’s materials knowledge, choose the right materials for their products, and provide resources for materials education. Ansys Granta offers a range of materials information management software, designed for companies to realize their in-house Material Intelligence. Ansys Granta MI™ offers a scalable solution to create, control and store your company's valuable material data, offering seamless integration with leading CAD, CAE and PLM systems for enterprise-wide consistency. Make smarter materials choices with Ansys Granta Selector. Trade-off various materials properties from a comprehensive database to help you select the best-suited material for the application. Boost your simulation accuracy with access to our unrivalled materials data library. -
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Signals Notebook
PerkinElmer
Signals Notebook has a modern user interface like the ones on all your personal apps, the need for training is negligible. You will be up and running in no time. That’s part of the reason Signals Notebook is the electronic lab notebook of choice for companies as to whether it’s a team of 4-5 research scientists to the largest biotechs and pharmaceutical companies in the world. Flexibility and breadth to support wide range of workflows now and in the future — including both chemistry, biology, formulations, analytical sciences, and materials sciences. Over 1 million scientists at 4000 organizations count on Signals Notebook to help them streamline their workflows. Structured data capture with APIs and interfaces for integration with instruments, in-house systems, and databases. -
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Simcenter Femap
Siemens Digital Industries
Simcenter Femap is an advanced simulation application for creating, editing, and inspecting finite element models of complex products or systems. You can use advanced workflows in Simcenter Femap to model components, assemblies, or systems, to then determine a model’s behavioral response when subjected to real-world conditions. In addition, Simcenter Femap provides powerful data-driven and graphical results visualization and evaluation, which in combination with the industry-leading Simcenter Nastran, delivers a comprehensive CAE solution that improves product performance. In the quest to make products lighter yet stronger, manufacturers are increasing their use of composite materials. Simcenter is at the leading edge of composites analysis through continuous development of material models and element types. Simcenter speeds the entire process for simulating laminate composite materials through a seamless connection to composites design. -
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ScienceDesk
ScienceDesk
ScienceDesk data automation demystifies the use of artificial intelligence in materials sciences. A practical tool for your team to add and apply the newest AI algorithms on an everyday basis. Customizable properties, universal identifiers, QR-codes and a powerful textual-numeric search engine that links sample and experimental data. ScienceDesk is an innovative platform for scientists and engineers to interact with, collaborate on and obtain insights into their experimental data. Unfortunately, the potential of this asset is not fully exploited due to the variety of data formats and the strong dependence on experts to manually extract specific information. The ScienceDesk research data management system solves this problem by combining documentation and data analysis in a cleverly-engineered data structure. Researchers and scientists are empowered by our algorithms to gain total control of their data. They can not only share datasets, but even the analysis know-how. -
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Dotmatics
Dotmatics
Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. Combining a workflow and data platform with best-of-breed applications, we offer the first true end-to-end solutions for biology, chemistry, formulations, data management, flow cytometry, and more. Trusted by more than 2 million researchers from the world’s leading biopharma, chemicals and materials enterprises, and academic institutions, we are dedicated to working with the scientific community to help make the world a healthier, cleaner and safer place to live. Learn more about our platform and products, including GraphPad Prism, Geneious, SnapGene, Protein Metrics, LabArchives, and more. -
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Citrine
Citrine Informatics
The platform is a combination of cutting-edge AI tools and smart data management infrastructure, made easy to use via intuitive user interfaces and kept safe with industry standard security protocols, deployed securely through the cloud. The Citrine Platform can ingest, structure, and store the full context of materials and chemicals development data from procurement through to processing and characterization. Avoid redundant experiments and quickly find relevant data sets. The Citrine Platform has AI capabilities to help your teams find high performing materials faster. AI models predict materials performance given processing, composition, and synthesis data. These models suggest which experiments to run next to hit your targets. The Citrine Platform keeps your data, domain knowledge, and models safe through rigorous safeguards. We maintain ISO27001 certification and documentation. -
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Materials Zone
Materials Zone
From materials data to better products, faster! Accelerates R&D, scale-up, and optimizes manufacturing QC and supply chain decisions. Discover new materials, use ML guidance to forecast outcomes, and achieve faster and improved results. Build a model on your way to production. Test the model's limits behind your products to design cost-efficient and robust production lines. Use models to predict future failures based on supplied materials informatics and production line parameters. The Materials Zone platform aggregates data from independent entities, materials providers, factories, or manufacturing facilities, communicating between them through a secured platform. By using machine learning (ML) algorithms on your experimental data, you can discover new materials with desired properties, generate ‘recipes’ for materials synthesis, build tools to analyze unique measurements automatically, and retrieve insights. -
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Avogadro
Avogadro
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free, open-source molecular editor and visualization tool, designed for use on Mac, Windows, and Linux in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. -
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SIMHEAT
TRANSVALOR
Induction heat treatment simulation provides comprehensive information about temperature gradient from surface to core and also the location of areas where phase transformations occur. SIMHEAT® can monitor the impact of current frequency, coil geometry and even concentrators’ location within the heat affected zone. Material modelling considers electrical and magnetic properties that are temperature-dependent. SIMHEAT® can be used as a standalone solution or in combination with Transvalor software. The perfect interoperability guarantees seamless results transfer from one solution to another. All the capabilities and functionalities of SIMHEAT® are also integrated in our FORGE® software, dedicated to the simulation of hot, semi-hot and cold forming processes. -
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InQuanto
Quantinuum
Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the fundamental properties of matter and hence is a powerful tool in the design and development of new molecules and materials. However, molecules and materials of industrial relevance are complex and not easy to accurately simulate. Today’s capabilities force a trade to either use highly accurate methods on the smallest-sized systems or use approximating techniques. InQuanto’s modular workflow enables both computational chemists and quantum algorithm developers to easily mix and match the latest quantum algorithms with advanced subroutines and error mitigation techniques to get the best out of today’s quantum platforms. -
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NobleAI
NobleAI
NobleAI enables companies to accelerate the development of better-performing, more environmentally sustainable, and reliably sourced chemical & material products. At NobleAI, we believe that materials science and chemistry are key to building a sustainable world and that AI is essential to unlock this potential. NobleAI’s science-based AI is a powerful fusion of novel artificial intelligence techniques and all available scientific knowledge, optimized for product development. This combination of data-driven insights and scientifically guided design delivers much higher levels of accuracy with far less data and training time. This delivers deeper insights while exhibiting greater transparency, interpretability, and scientific fidelity. -
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ExoMatter
ExoMatter
The ExoMatter Platform for Materials R&D offers easily searchable, AI-enriched data for scientific materials screening. Searching simultaneously by chemical, physical, mechanical, sustainability and cost properties, ExoMatter identifies the most viable candidates for any product, and empowers scientists to run custom simulations with them. Designed by material scientists for material scientists, ExoMatter enables the focus on innovative, cost-effective inorganic material candidates for any product, allows efficiency in the lab and prepares the ground for a sustainable world. Founded in 2022 as a spin-off from the German Aerospace Center, ExoMatter has worked with leading companies like Bosch Siemens Hausgeräte (BSH), Infineon, and Airbus. -
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Albert
Albert Invent
Meet Albert, the end-to-end platform that’s digitalizing materials science for the age of AI. From molecular design to industrial production, we've lived the challenges of chemical innovation. Albert is built and implemented by industry veterans to meet the real-world needs of chemists, for today's challenges and tomorrow's innovations. Break down the silos in your R&D processes with Albert’s end-to-end platform. By combining ELN, LIMS, AI/ML, automated SDS generation, and other capabilities, Albert creates a unified flow of knowledge throughout R&D that enables innovation. Equip every scientist in your organization with the power of AI. Albert's specialized AI is trained like a chemist to optimize formulations and accelerate experiments, so you can get new products to market more than 50% faster. Our intuitive design and collaborative implementation, rooted in our own lab experience, ensure seamless integration into your workflows. -
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Kebotix
Kebotix
Kebotix is a technology platform company for new chemicals and materials, ushering in a new age of high-speed innovation using artificial intelligence and robotic automation. Kebotix has built the world’s first self-driving lab for materials discovery powered by AI and robotics. Kebotix is accelerating the exploration, discovery, use, and production of new molecules and materials that can solve some of the world’s most urgent problems. Bring your products to market faster with us and benefit from the leading material design technology powered by our self-driving lab. Kebotix boosts your R&D to the forefront of digitalization by providing enterprise AI solutions customized for your materials discovery. We help you bring better products to market faster with automated learning from each iteration of the predict-produce-prove cycle. -
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Osium AI
Osium AI
Osium AI is an AI-powered software platform that enables industry leaders to accelerate the development of sustainable and high-performance materials and chemicals. By leveraging proprietary technology developed by experts with over a decade of experience in AI and multiple AI patents, Osium AI offers a unified solution covering every step of the materials and chemicals development cycle, from formulation and characterization to scale-up and manufacturing. It allows users to predict any material or chemical property in just a few seconds, design optimal routes for R&D experiment planning, analyze material characteristics and defects swiftly, and optimize existing processes to decrease costs, enhance properties, and reduce CO₂ emissions. Osium AI's software is designed to help with any R&D project and adapts to evolving needs, enabling efficient scaling of developments. -
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BIOVIA Materials Studio
Dassault Systèmes
BIOVIA Materials Studio is a comprehensive modeling and simulation environment designed to enable researchers in materials science and chemistry to predict and understand the relationships between a material’s atomic and molecular structure and its properties and behavior. Utilizing an "in silico first" approach allows for the optimization of material performance in a cost-effective virtual setting prior to physical testing. It supports a wide range of materials, including catalysts, polymers, composites, metals, alloys, pharmaceuticals, batteries, and more. It offers tools for quantum, atomistic, mesoscale, statistical, analytical, and crystallization simulations, facilitating the design of advanced materials across various industries. Features include the ability to accelerate innovation, reduce R&D costs through virtual screening, and improve efficiency by automating best practices within Pipeline Pilot. -
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BIOVIA ONE Lab
Dassault Systèmes
BIOVIA ONE Lab is a comprehensive laboratory informatics solution designed to streamline workflows, enhance collaboration, and accelerate research across various scientific domains. It provides a unified environment for managing all laboratory data and processes, enabling scientists to make better decisions faster. ONE Lab is leveraged by companies across multiple industries, including Life Sciences, Consumer Packaged Goods, Energy & Materials, and more. It can be deployed across Research, Development, and QA/QC, with the flexibility to meet the specific needs of scientists in each domain. It manages samples, experiments, data, inventory, equipment, and workflows, integrating with a wide range of laboratory instruments and software to connect existing systems and data seamlessly. ONE Lab removes artificial barriers between ELN, LIMS, LES, equipment integration, and inventory management by employing a single data model across all functional areas. -
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Thermo-Calc
Thermo-Calc
Thermo-Calc is a powerful thermodynamic modeling software used by materials scientists and engineers to generate material properties data, gain insights about materials, understand specific observations, and answer direct questions related to a specific material and/or its processing. It includes several built-in calculators that come standard with all licenses, including the Equilibrium Calculator, Scheil Solidification Simulations, Property Model Calculator, General Model Library, Material to Material Calculator, Pourbaix Diagram Module, and Data Optimization Module (PARROT). Thermo-Calc can be expanded with several Add-on Modules and over 40 available databases, all integrated into one platform, providing a unified working environment. It allows users to calculate the state for a given thermodynamic system to obtain insights such as amounts and compositions of phases, transformation temperatures, solubility limits, driving forces for phase formation, and more. -
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QSimulate
QSimulate
QSimulate offers a suite of quantum simulation platforms that leverage quantum mechanics to solve complex, industrial-scale problems in life sciences and materials science. The QSP Life platform provides unique quantum-powered methods for drug discovery and optimization, enabling first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery process. The QUELO platform performs hybrid quantum/classical free energy calculations, offering users the ability to run relative free energy calculations using the free energy perturbation (FEP) approach. Additionally, QSimulate's technology enables groundbreaking advances in quantum mechanics/molecular mechanics (QM/MM) simulations for large protein modeling. For materials science, the QSP Materials platform democratizes quantum mechanical simulations, allowing experimentalists to automate complex workflows without the need for specialization. -
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CrowdChem
CrowdChem
The CrowdChem Data Platform is a knowledge-based platform for the chemistry field, built on independently collected data. It enables users to smoothly select raw materials and search for customers through data analysis functions and text mining. Examples include discovering combinations of new raw materials, conducting more accurate usage investigations of chemical products, and creating lists of potential customers who can use each company's products. Information can be searched from highly comprehensive data collected from patents, papers, catalogs, news articles, etc., eliminating the need to dig around for necessary data. Users can select raw materials and customers on the platform by combining machine learning and natural language processing technology, allowing for raw material selection, customer search, competitive analysis, and more. -
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Atinary SDLabs Platform
Atinary
Atinary's Self-Driving Labs (SDLabs) platform is an AI and machine learning solution designed to digitize and automate R&D workflows, enabling traditional laboratories to transition from manual experiments to autonomous experimentation. It facilitates the design and optimization of experiments through a closed-loop system that integrates AI-driven hypotheses, predictions, and decisions. Key features include multi-objective optimization, database management, workflow orchestration, and real-time data analytics. Users can define experiments with constraints, allow the ML algorithms to decide on subsequent iterations, run experiments (with or without robotic assistance), analyze data, and retrain models with new data, thereby accelerating the discovery of better, cheaper, and greener products. Atinary's proprietary algorithms, such as Emmental for non-linear constrained optimization, SeMOpt for transfer learning in Bayesian optimization, and Falcon.