Cases
We've highlighted some of the most notable examples from user interviews, simulation cases, and research papers. Browse by category to explore the details that interest you.
Featured Cases
Featured Customer Stories
It was impossible to predict based on past experience or intuition.
Creating new combinations and encounters
Kuraray Co., Ltd.Chemicals
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
High-Accuracy, High-Speed Binding Energy Evaluation of Cyclin-Dependent Kinase 2 Inhibitors
Pharmaceuticals
概要 創薬研究において、リード最適化段階でのタンパク質-リガンド結合親和性の正確な予測は、化合物選択の成否を左右します。しかし、量子化学計算による高精度な相互作用計算は1構造あたり数十時間を要し、大規模な化合物ライブラリへの適用は現実
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Featured Published Papers
Towards accurate and scalable high-throughput MOF adsorption screening: merging classical force fields and universal machine learned interatomic potentials
Adsorbents
High-throughput computational screening (HTCS) of gas adsorption in metal–organic frameworks (MOFs) typically relies on classical generic force fields which are computationally efficient but often fail to capture complex host–guest interactions. Universal machine learned interatomic potentials (u-MLIPs) offer near-quantum accuracy at far lower cost than density-functional theory (DFT), yet their large-scale application in adsorption screening remains limited. Here, we introduce an efficient hybrid screening workflow that merges classical generic force fi…
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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.
How to cite
For information on how to cite Matlantis papers and case studies, please see the link below.
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Beyond Human Intuition — with Matlantis
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