Data-centric online ecosystem for digital materials science

TL;DR

This paper presents a modular, extensible digital ecosystem for materials science data, enhancing collaboration, standardization, and security across diverse research domains to accelerate scientific progress.

Contribution

It introduces a novel data-centric ecosystem with standardized tools and protocols, supporting diverse materials science data and fostering collaborative research.

Findings

Implementation of data standards and tools for nanoscale modeling

Support for multi-domain data integration

Enhanced collaboration and data security features

Abstract

Materials science is becoming increasingly more reliant on digital data to facilitate progress in the field. Due to a large diversity in its scope, breadth, and depth, organizing the data in a standard way to optimize the speed and creative breadth of the resulting research represents a significant challenge. We outline a modular and extensible ecosystem aimed at facilitating research work performed in an accessible, collaborative, and agile manner, without compromising on fidelity, security, and defensibility of the findings. We discuss the critical components of the ecosystem and explain the implementation of data standards and associated tools. We focus initial attention on modeling and simulations from nanoscale and explain how to add support for other domains. Finally, we discuss example applications or the data convention and future outlook.