论文标题

分子和材料基本本体论:开发和第一步

Molecular and Materials Basic Ontology: development and first steps

论文作者

Piane, Fabio Le, Baldoni, Matteo, Gaspari, Mauro, Mercuri, Francesco

论文摘要

高级材料及其应用已成为研究的关键领域,看起来这种趋势不会很快改变。因此,对在现场组织知识并进行计算或实验研究的系统和有效方法的需求比以往任何时候都更强。在这项工作中,我们提出了Mambo的基本实施 - 分子材料的本体及其在现实生活中的应用。 Mambo的发展受到研究社区的需求,其中涉及具有功能性能的新型材料的开发,并特别关注纳米级。 Mambo旨在扩展该领域的当前工作,同时保留模块化性质,以使概念和与相邻领域的关系直接扩展。我们的工作有望使计算和实验数据在特定的感兴趣领域(纳米材料,分子材料,有机聚合物材料,超分子和生物有机系统等)的系统整合。此外,Mambo的开发是针对数据驱动框架的应用,以设计具有量身定制特征的新型材料。

Advanced materials and their applications have become a key field of research, and it looks like this trend is not going to change soon. For that reason, the need for systematic and efficient methods for organizing knowledge in the field and conduct computational or experimental investigations is stronger than ever. In this work, we present a basic implementation of MAMBO - an ontology for molecular materials and their applications in real-life scenarios. The development of MAMBO has been guided by the needs of the research community involved in the development of novel materials with functional properties, with particular attention to the nanoscale. MAMBO aims at extending the current work in the field, while retaining a modular nature in order to allow straightforward extension of concepts and relations to neighboring domains. Our work is expected to enable the systematic integration of computational and experimental data in specific domains of interest (nanomaterials, molecular materials, organic an polymeric materials, supramolecular and bio-organic systems, etc.). Moreover, MAMBO is developed with a strong focus on the applications of data-driven frameworks for the design of novel materials with tailored characteristics.

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