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  4. Material design support integrated system MedeA (Molsis Co., Ltd.)

Material design support integrated system MedeA
Molsis Co., Ltd.

About This Product

■Summary

MedeA is software for building an integrated calculation environment for materials design. Breaking away from the ``calculation software interface'' found in existing molecular design software, it is designed as ``an integrated environment that combines database and network technology to perform simulations efficiently.'' In the calculation environment provided by MedeA, it is possible to evaluate physical properties such as structural evaluation, optical properties, magnetism, thermodynamic properties, elasticity, vibration, and electronic conductivity of materials such as metals, ceramics, and semiconductors based on band calculations. can. In addition, by using Monte Carlo calculations and molecular dynamics calculations, it is possible to evaluate thermodynamic properties, phase equilibrium, viscosity, thermal conductivity, and diffusion of fluids and polymers. MedeA evaluates physical properties by combining calculation programs and tools that derive physical property values ​​based on the results. By combining tools suitable for the purpose of your research, you can create an efficient computing environment.

■Basic environment MedeA Environment

MedeA's basic environment (MedeA Environment) provides an environment for building model structures, setting calculations, and analyzing calculation results on a unified graphical user interface. MedeA allows you to build a calculation environment based on this basic environment, MedeA Environment, by combining calculation programs and tools for estimating physical property values.

■Basic structure construction functions

You can build and edit structural models on the graphical user interface. In addition to basic operations (specifying lattice constants, atomic positions, etc.), it is equipped with various support tools that are useful for research. In addition to these basic functions, you can also use extended functions to support modeling of more complex structures.

■Calculation setting function

Each calculation program is equipped with a dedicated graphical user interface, making it easy to set up and execute calculations. Furthermore, by using the flowchart function, you can freely construct and execute calculation flows.

■Analysis function

It is equipped with functions to analyze the results obtained from calculations on a graphical user interface, such as drawing band structures and displaying electrification density distribution. It also has a function to analyze the constructed crystal model, and can display information such as symmetry determination and interatomic distance.

■External data support

Supports file formats used by other software. It is also possible to use structural files that have been used in previous research. It is also equipped with a function to output and display on external tools.

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    Material design support integrated system MedeA

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1 Models of Material design support integrated system MedeA

Image Part Number Price (excluding tax) Operating environment OS Memory Network Display Disk capacity Video card Sound card CPU

MedeA

Available upon quote

Windows 10/11 (64bit), Linux (64bit)

Approximately 1~4GB per core
4GB or more per core is recommended for VASP calculations

Gbit environment is recommended when performing parallel calculations with MPI

Screen resolution 1,024 x 800 or higher

Approximately 6GB is required to install MedeA.
It is recommended that you have at least 100GB of free space to store calculation results.

128MB or more recommended (Compatible with OpenGL2.1 or higher)

Not necessary

Intel Core i5, i7, i9, Xeon, etc.
AMD Ryzen, EPYC, etc.

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About Company Handling This Product

Molsis Co., Ltd.

  • Japan

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Molsis Co., Ltd.

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