First-principles calculations are done using 'Materials Studio'.
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.
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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『Materials Studio』
Applications/Examples of results
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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News about this product（8）
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[Notice] We will hold an online seminar titled "Examples of Using Machine Learning Tools in 45 Minutes" on October 14 (Wednesday).
The second installment of the online seminar that received a great response the other day! We will introduce case studies utilizing "tools" with the theme of the most frequently mentioned "keyword of interest" from the survey responses on the seminar day: [Machine Learning]. This seminar is recommended for those who want to know specific use cases such as "What can 'Machine Learning' actually do?" and "When should I use 'Machine Learning'?" This time, we will take a slightly different perspective and present case studies of "Machine Learning" applications using tools in a broad context, including "multi-objective optimization using Machine Learning" in 'Materials Informatics (MI)', "Data Science", and "Image Recognition Processing". ■ Event Overview 【Date and Time】October 14, 2020 (Wednesday) 13:15 - 14:00 (scheduled for 45 minutes) 【Participation Fee】Free (pre-registration required) 【Method】Held online (Web) 【Overview & Registration】Please register from the following page www.wavefront.co.jp/news/20201014-MI_seminar ★ We sincerely look forward to your participation! ♪★
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[Notice] We will hold an online seminar titled "Examples of Utilizing Machine Learning Tools in 45 Minutes" on October 14 (Wednesday).
The second installment of the online seminar that received a great response the other day! We will introduce case studies utilizing "tools" on the theme of the most frequently mentioned "machine learning" from the survey responses on the seminar day regarding "keywords of interest." This seminar is recommended for those who want to know specific use cases such as, "What can 'machine learning' actually do?" and "When should I use 'machine learning'?" This time, we will take a slightly different perspective and present case studies of "machine learning" applications using tools in a broad context, including "multi-objective optimization using machine learning" in "Materials Informatics (MI)," "data science," and "image recognition processing." ■ Event Overview 【Date and Time】October 14, 2020 (Wednesday) 13:15 - 14:00 (scheduled for 45 minutes) 【Participation Fee】Free (pre-registration required) 【Method】Held online (Web) 【Overview & Registration】Please register from the following page www.wavefront.co.jp/news/20201014-MI_seminar ★ We sincerely look forward to your participation! ♪ ★
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[Notice] We will hold an online seminar titled "Examples of Utilizing Machine Learning Tools in 45 Minutes" on October 14 (Wednesday).
The second installment of the online seminar that received a great response the other day! We will introduce case studies using "tools" with the most frequently mentioned keyword from the survey responses on the seminar day: "Machine Learning." This seminar is recommended for those who want to know specific use cases such as "What can 'Machine Learning' actually do?" and "When should I use 'Machine Learning'?" This time, we will take a slightly different perspective and present case studies of "Machine Learning" applications using tools in "Materials Informatics (MI)," including "multi-objective optimization using Machine Learning," "data science," and "image recognition processing." ■ Event Overview 【Date and Time】October 14, 2020 (Wednesday) 13:15 - 14:00 (scheduled for 45 minutes) 【Participation Fee】Free (pre-registration required) 【Method】Held online (Web) 【Overview & Registration】Please register from the following page: www.wavefront.co.jp/news/20201014-MI_seminar ★ We sincerely look forward to your participation! ♪ ★
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[Notice] We will hold an online seminar titled "Examples of Utilizing Machine Learning Tools in 45 Minutes" on October 14 (Wednesday).
The second installment of the online seminar that received a great response the other day! We will introduce case studies utilizing "tools" with the theme of the most frequently mentioned "keyword of interest" from the survey responses on the day of the seminar: [Machine Learning]. This seminar is recommended for those who want to know specific use cases such as "What can 'Machine Learning' actually do?" and "When should I use 'Machine Learning'?" This time, we will take a slightly different perspective and introduce case studies of "Machine Learning" using tools from a broad perspective, including "multi-objective optimization using Machine Learning" in 'Materials Informatics (MI)', "Data Science", and "Image Recognition Processing". ■ Event Overview 【Date and Time】October 14, 2020 (Wednesday) 13:15 - 14:00 (scheduled for 45 minutes) 【Participation Fee】Free (pre-registration required) 【Method】Held online (Web) 【Overview & Registration】Please register from the following page www.wavefront.co.jp/news/20201014-MI_seminar ★ We sincerely look forward to your participation! ♪★
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[Notice] An online seminar on the application examples of "Materials Informatics" will be held on June 25 (Thursday).
In recent years, "Materials Informatics" has garnered significant attention as a technology that enables the efficient exploration of innovative material development. We will hold an online seminar recommended for those who are wondering, "How should I approach and utilize this? Where should I start?" 【Date and Time】June 25, 2020 (Thursday) 13:15 - 14:00 (scheduled for 45 minutes) 【Participation Fee】Free (pre-registration required) 【Target Audience】Anyone interested in "Materials Informatics" 【Method of Implementation】Held online (Web) *The participation URL will be sent to those who register later. 【Overview & Registration】Please register from the following page www.wavefront.co.jp/news/20200625-MI_seminar ★We sincerely look forward to your participation!♪★
