Related papers: XASDB -- Design and Implementation of an Open-Acce…
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret…
We present DASPack, a high-performance, open-source compression tool specifically designed for distributed acoustic sensing (DAS) data. As DAS becomes a key technology for real-time, high-density, and long-range monitoring in fields such as…
X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive,…
We present the Open Supernova Catalog, an online collection of observations and metadata for presently 36,000+ supernovae and related candidates. The catalog is freely available on the web (https://sne.space), with its main interface having…
Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental…
Modern online mass spectrometry generates multi-terabyte data streams critical for understanding Earth's environmental systems. However, extracting actionable chemical insights from these repositories is impeded by a computational…
This work discusses how the MPContribs framework in the Materials Project (MP) allows user-contributed data to be shown and analyzed alongside the core MP database. The Materials Project is a searchable database of electronic structure…
Exploring and understanding ultrafast processes at the atomic level is a scientific challenge. Femtosecond X-ray Absorption Spectroscopy (XAS) is an essential experimental probing technic, as it can simultaneously reveal both electronic and…
AsterixDB is a new, full-function BDMS (Big Data Management System) with a feature set that distinguishes it from other platforms in today's open source Big Data ecosystem. Its features make it well-suited to applications like web data…
Sigma-profiles obtained from quantum-chemical calculations are key molecular descriptors for solvent selection, thermodynamic modeling, and data-driven molecular design. However, existing sigma-profile libraries are limited in size and…
The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…
In today's world data is being generated at a high rate due to which it has become inevitable to analyze and quickly get results from this data. Most of the relational databases primarily support SQL querying with a limited support for…
One of the most challenging and recurring problems when modelling plasmas is the lack of data on key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of…
Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications. The primary window into the composition of small molecule…
Leadership computing facilities around the world support cutting-edge scientific research across a broad spectrum of disciplines including understanding climate change, combating opioid addiction, or simulating the decay of a neutron. While…
As scientific discovery becomes increasingly data-driven, software platforms are needed to efficiently organize and disseminate data from disparate sources. This is certainly the case in the field of materials science. For example,…
Four years after the last LISA meeting, the NASA Astrophysics Data System (ADS) finds itself in the middle of major changes to the infrastructure and contents of its database. In this paper we highlight a number of features of great…
We present BAX, Base de Donnees Amas de Galaxies X (http://webast.ast.obs-mip.fr/bax), a multi-wavelength database dedicated to X-ray clusters and groups of galaxies allowing detailed information retrieval. BAX is designed to support…
The CDMS was founded 1998 to provide in its catalog section line lists of molecular species which may be observed in various astronomical sources using radio astronomy. The line lists contain transition frequencies with qualified…
Deep learning holds immense promise for spectroscopy, yet research and evaluation in this emerging field often lack standardized formulations. To address this issue, we introduce SpectrumLab, a pioneering unified platform designed to…