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  6. Nano-simulation

Nano-simulation

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last updated:Apr 02, 2026

一般財団法人材料科学技術振興財団 MST
一般財団法人材料科学技術振興財団 MST
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Nano-simulation is a computational science method that handles atoms and molecules based on the laws of physics and chemistry, and it can be utilized to understand various phenomena.

From very small and simple systems such as single molecules and clusters to relatively complex systems such as interfaces, defects, and external fields (electric fields, pressure, etc.), we can handle a wide range of scenarios. ■ Effective Situations - When you want to verify hypotheses established at the atomic or molecular level regarding the phenomenon of interest - When you want to perform detailed attribution and interpretation of various spectroscopic spectra ■ Features of MST - We can provide a one-stop service from the proposal of computational models to analysis - We have our own computational environment, allowing us to handle highly confidential data - Simulations leveraging the expertise of analysis and AI specialists are possible ■ Supported Computational Methods - Quantum chemical calculations - First-principles calculations - Molecular dynamics calculations

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Nano-simulation

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Applications/Examples of results

- Analysis of defect levels in wide bandgap semiconductor gallium nitride (GaN) - Assignment of Raman spectra of copper phthalocyanine - Simulation of bending deformation of carbon nanotubes - Evaluation of molecular permeability to lipid bilayers - Energy profile of Li-ion insertion/extraction processes in LIB anode/electrolyte - Structural exploration of new organic semiconductor materials using materials informatics (MI)

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一般財団法人材料科学技術振興財団 MST

一般財団法人材料科学技術振興財団 MST

Testing, Analysis and Measurement

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MST is a foundation that provides contract analysis services. We possess various analytical instruments such as TEM, SIMS, and XRD to meet your analysis needs. Our knowledgeable sales representatives will propose appropriate analysis plans. We are also available for consultations at your company, of course. We have obtained ISO 9001 and ISO 27001 certifications. Please feel free to consult us for product development, identifying causes of defects, and patent investigations! MST will guide you to solutions for your "troubles"!

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