Cases

Featured Cases

Featured Customer Stories

It was impossible to predict based on past experience or intuition.
Creating new combinations and encounters

Kuraray Co., Ltd.Chemical

Combined with AI and experimental data, computational chemistry contributes to raising the level of research and development. “We expect that it can be a powerful tool to compete globally.”

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From left to right: Dr. Kamata, Senior Manager of the Planning and Administration Department And Digital Solution Department, Research and Development Division, Mr. Sugoh, General Manager of the Research and Development Division, and Dr. Miura, Manager of the Digital Solution Department established within the Research and Development Division

Featured Calculation Examples

NNP-MDによる原子変位パラメータの直接導出

原子変位パラメータ

熱電材料

テーマ概要結晶構造解析では、原子の熱振動や位置の揺らぎを表す原子変位パラメータ（ADP）が重要な役割を果たします。従来は格子力学計算により求められてきましたが、置換不規則性や分裂サイトを含む複雑な結晶では適用が難しいという課題があり

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Featured Published Papers

Unveiling Dominant Processes of Na Cluster Formation and Na-Ion Diffusion in Hard Carbon Nano-Pore: A DFT-MD Study

Che-an Lin, Huu Duc Luong, Ryoma Sasaki, Yoshitaka Tateyama

Papers using Matlantis

Materials Informatics

battery

The pore filling by Na cluster formation in designated hard carbon (HC) anodes has been reported as a major origin of the extended plateau capacity for Na-ion battery. However, there is a lack of thorough insight into the mechanism of Na cluster formation. Furthermore, the factors causing sluggish Na-ion diffusion in HC are still unclear. In this work, these issues are addressed using density-functional-theory-based molecular dynamics with two parallel/distorted graphene sheets as models for the HC nano-pores and graphitic regions. The calculations demon…

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List of customer cases

We will introduce the background, challenges, usage methods, and results obtained by companies that have introduced Matlantis. Through real voices from the field, we will provide you with hints that will be useful when considering introducing Matlantis.

List of calculation examples

We will introduce specific simulation examples using Matlantis for various material systems. You can see how high speed and high accuracy calculations are achieved.

List of published papers

This site mainly features papers published by Matlantis users about research using Matlantis, as well as papers about machine learning potential and PFP, which are core technologies of Matlantis.