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[Example] Optical property calculation of coumarin using MaterialsStudio

Introduction of a simulation case for calculating the optical properties of coumarin using Materials Studio.

Case Study Utilizing "Materials Studio" ◇ Coumarin molecules are a type of aromatic compound derived from plants, represented by cherry leaves. Additionally, it is known that coumarin molecules are optically active. By utilizing one of the modules, "DMOL3," we can gain insights into optical properties in such cases. In this case study, we simulated the optical properties of coumarin molecules in both vacuum and aqueous solvent. Furthermore, the consideration of the solvent was conducted using the COSMO solvent model. 【Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries ■ Helps in the development of new materials more efficiently and easily. ■ Supports various types of materials ■ Allows for the creation of crystal structures, setting of calculation conditions, and display of calculation results all on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp

"Materials Studio" product details introduction & case studies information, etc.

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 ・Tribochemical (Lubrication) Reactions    etc. *For more details, please feel free to contact us. Wavefront Co., Ltd. Sales Department MAIL: sales@wavefront.co.jp URL: http://www.wavefront.co.jp/

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『Materials Studio』

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For more details, please refer to the catalog or feel free to contact us.

Detailed information

Materials Development Integrated Simulation Software "Materials Studio"

PRODUCT

Essential for material manufacturers! Electronic lab notebook 'BIOVIA Notebook'

TECHNICAL

Data Analysis Comprehensive Platform (Data Science Tool) 'PipelinePilot'

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[Case Study] Ideal for Lithium-Ion Battery Material Development 'Materials Studio' *Free case study available!

PRODUCT

Easy introduction to the electronic lab notebook 'BIOVIA Notebook'

TECHNICAL

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