The VAMDC species database

IF 1.5 4区 物理与天体物理 Q3 OPTICS The European Physical Journal D Pub Date : 2024-07-02 DOI:10.1140/epjd/s10053-024-00863-1
Carlo Maria Zwölf, Nicolas Moreau
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Abstract

The Virtual Atomic and Molecular Data Centre (VAMDC) is a distributed infrastructure combining heterogeneous atomic and molecular (A &M) data from more than 41 autonomous databases. In this paper, we present the Species Database, a scientific web service which is a central catalogue providing a useful information on A &M species from all the VAMDC databases. The Species Database is one the key pillars in the technical architecture of the VAMDC, and from the user’s point of view, it is the service to simply and immediately answer the question: Does VAMDC have data on my molecule/atom of interest? This work is structured as follows: After recalling the aims and needs that led to the construction of the Species Database, we will describe how it works, with increasing levels of complexity. First, we will describe how any user, even those with no knowledge of VAMDC, can easily use the dedicated web interface to search for and extract information. Then we will describe an API that more advanced users can use to interact with the Species Database in a more programmatic way. Two appendices cover some technical aspects that are not necessary for using the Species Database, but which may be of interest to readers wishing to understand implementation details and low-level technical subtleties.

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瓦努阿图物种数据库
摘要虚拟原子与分子数据中心(VAMDC)是一个分布式基础设施,它整合了来自超过41个自主数据库的异构原子与分子(A &M )数据。本文介绍的物种数据库是一项科学网络服务,它是一个中央目录,提供来自虚拟原子与分子数据中心所有数据库的原子与分子物种的有用信息。物种数据库是瓦努阿图南亚海洋生物资源保护与发展中心技术架构的关键支柱之一,从用户的角度来看,它是一种能够简单、即时地回答以下问题的服务:"瓦努阿图南亚海洋生物资源保护与发展中心是否有我的物种数据?VAMDC 是否有我感兴趣的分子/原子的数据?这项工作的结构如下:在回顾了构建物种数据库的目的和需求之后,我们将介绍数据库的工作原理,其复杂程度会逐渐增加。首先,我们将介绍任何用户,即使是对 VAMDC 一无所知的用户,也可以轻松使用专用网络界面搜索和提取信息。然后,我们将介绍一个应用程序接口(API),高级用户可以使用该程序接口以更加程序化的方式与物种数据库进行交互。两个附录涵盖了一些技术方面的内容,这些内容对于使用物种数据库来说并非必要,但对于希望了解实施细节和低级技术微妙之处的读者来说可能会感兴趣。 图文摘要
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来源期刊
The European Physical Journal D
The European Physical Journal D 物理-物理:原子、分子和化学物理
CiteScore
3.10
自引率
11.10%
发文量
213
审稿时长
3 months
期刊介绍: The European Physical Journal D (EPJ D) presents new and original research results in: Atomic Physics; Molecular Physics and Chemical Physics; Atomic and Molecular Collisions; Clusters and Nanostructures; Plasma Physics; Laser Cooling and Quantum Gas; Nonlinear Dynamics; Optical Physics; Quantum Optics and Quantum Information; Ultraintense and Ultrashort Laser Fields. The range of topics covered in these areas is extensive, from Molecular Interaction and Reactivity to Spectroscopy and Thermodynamics of Clusters, from Atomic Optics to Bose-Einstein Condensation to Femtochemistry.
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