Material development simulation software adapted for materials informatics, first-principles calculations, quantum mechanics, classical mechanics, and mesoscale analysis.
"Materials Studio" A suite of molecular modeling/simulation tools for next-generation materials development equipped with first-principles calculations, quantum mechanics (density functional theory), classical mechanics (molecular dynamics calculations), mesoscale (dissipative particle dynamics calculations, etc.), statistics, and analysis/crystallization tools. "Materials Informatics" 【Features】 ■ Simulation software that streamlines materials development Available for use by those engaged in research, development, design, and manufacturing across various industries and fields. ■ Supports various types of materials Predicts how the structure of atoms and molecules relates to the physical properties and behaviors of materials in the fields of materials science and chemistry, aiding in the understanding of physical phenomena. ■ Examples Research and development in crystal growth, thin film formation, fuel cells, lubricants, catalysts, polymers and mixtures, metals and alloys, batteries and fuel cells, etc. ■ Enhanced visualization with "Materials Studio Visualizer" ■ All tasks, including crystal structure creation, calculation condition settings, and calculation result display, can be performed on a single GUI screen. *For more details, please refer to the catalog or feel free to contact us.
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basic information
【Tools】 ■ Quantum Mechanics Simulation Tool ■ Classical Simulation Tool ■ Mesoscale Simulation Tool ■ Statistical Tool ■ Analysis/Crystallization Tool 【Examples】 ・Crystal Growth ・Behavior of Atoms on Crystal Surfaces ・Crystal Analysis ・Calculation of Physical Properties ・Sputtering Simulation ・Improvement of Lubricant Performance ・Catalysts etc. *For more details, please refer to the catalog or feel free to contact us.
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For more details, please refer to the catalog or feel free to contact us.
Detailed information
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Multiscale Simulation of Materials 'Materials Studio' is a comprehensive modeling/simulation platform equipped with: - Quantum mechanics (Density Functional Theory) - Classical mechanics (Molecular Dynamics Calculations) - Mesoscale (Dissipative Particle Dynamics Calculations, etc.) along with statistical, analytical, and crystallization tools.
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◆Diffusion of Oil in Water◆ This shows the calculation results of the diffusion of oil in water using dissipative particle dynamics. The dark reddish-brown mass in the center of the video is the oil. The green dots surrounding the oil are water molecules. In this calculation, four water molecules and one oil molecule are treated as a single bead (point particle) to speed up the computation time. ◇Used Modules Vizualizer, Mesocite
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◆Methane Diffusion in Polybutadiene Using Molecular Dynamics◆ Atomic distances and molecular angles can be easily determined using the Amorphous Cell to ensure that atomic distances are not too close, based on the force fields used in molecular dynamics. For the polymer polybutadiene, it is also possible to obtain complex atomic arrangements based on force field calculations while considering density. ◇Modules Used Visualizer, Amorphous Cell, Forcite Plus, COMPASS
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◆Behavior of Silane Coupling on CeO2(110) Surface◆ This is the result of calculations on the behavior of silane coupling on the CeO2(110) surface using molecular dynamics simulations. By using the COMPASS force field, which has been rigorously validated, it is possible to accurately calculate the behavior of organic molecules. ◇Modules Used Vizualizer, Forcite Plus, COMPASS
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![[Case Study] Ideal for Lithium-Ion Battery Material Development 'Materials Studio' *Free case study available!](https://image.mono.ipros.com/public/catalog/image/01/853/582890/IPROS44299245369553055023.jpeg?w=120&h=170)
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Our company develops and sells a "Maintenance Management System" for managing and operating various plants, factories, and other facilities and assets. Currently, this system is undergoing significant evolution into one that incorporates IoT technologies, such as sensor information and input from tablet devices, as well as AI technologies like machine learning, featuring functions for failure prediction and automatic scheduling. Additionally, as part of the recent trend towards digital transformation (DX), there is a growing movement to digitize and automate manufacturing processes and research and development sites in factories to enhance operational efficiency. In line with this trend, our company provides a solution aimed at improving efficiency in research and development environments, known as the Laboratory Information Management System (LIMS), which includes features such as workflow management, data tracking, data management, data analysis, and integration of electronic lab notebooks.
