Materials Studio 4.2

Materials Studio is an integrated software suite for materials modeling and simulation developed by Accelrys Inc. (now part of Dassault Systèmes BIOVIA). It provides a unified, graphical environment to build, visualize, and analyze molecules, polymers, crystalline solids, surfaces, and interfaces, enabling researchers to predict structure–property relationships and accelerate materials design.

Key capabilities include:

• Quantum-mechanical calculations (e.g., DFT) for electronic structure, energetics, and spectroscopy
• Classical molecular mechanics and molecular dynamics for thermodynamic, mechanical, and transport properties
• Tools for constructing amorphous materials and polymers, including chain building and amorphous cell generation
• Surface science and catalysis workflows for adsorption, diffusion, and reaction pathway studies
• Mesoscale modeling to explore phase behavior and morphology at larger length scales
• Comprehensive visualization, analysis, and reporting, with Python scripting and workflow automation
• Scalable job management for desktops, clusters, and high-performance computing environments

Used across the chemicals, energy, electronics, and advanced materials sectors, Materials Studio helps R&D teams shorten experimental cycles, reduce costs, and make data-driven decisions throughout the materials innovation process.

Materials Studio is developed by Accelrys Inc. The most popular versions of this product among our users are: 4.1 and 4.2. The name of the program executable file is MatStudio.exe.