Best Materials Science Software for Windows
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Compare the Top Materials Science Software for Windows as of June 2025
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What is Materials Science Software for Windows?
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 for Windows 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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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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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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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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DIGIMU
TRANSVALOR
DIGIMU® generates digital polycrystalline microstructures representative of the material's heterogeneities (compliance with the topological characteristics of the microstructure). The boundary conditions applied to the REV are representative of that experienced by a material point at the macroscopic scale (thermomechanical cycle of the considered point). Based on a Finite Elements formulation, the various physical phenomena involved during metal forming processes are simulated (recrystallization, grain growth, Zener pinning due to second phase particles, etc.). In order to improve digital precision and to reduce computation times, the software is capable of providing a precise description of the interfaces (grain boundaries) while using an appropriate number of elements thanks to a fully automated anisotropic meshing and remeshing adaptation technology.
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