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Modeling environmental ecosystems is essential for effective resource management, sustainable development, and understanding complex ecological processes. However, traditional methods frequently struggle with the inherent complexity,…

Machine Learning · Computer Science 2025-03-06 Runlong Yu , Shengyu Chen , Yiqun Xie , Xiaowei Jia

Facilitating the application of machine learning to materials science problems will require enhancing the data ecosystem to enable discovery and collection of data from many sources, automated dissemination of new data across the ecosystem,…

Materials Science · Physics 2020-02-19 Ben Blaiszik , Logan Ward , Marcus Schwarting , Jonathon Gaff , Ryan Chard , Daniel Pike , Kyle Chard , Ian Foster

Movement is a fundamental aspect of animal life and plays a crucial role in determining the structure of population dynamics, communities, ecosystems, and diversity. In recent years, the recording of animal movements via GPS collars, camera…

Digital Libraries · Computer Science 2020-05-29 Brendan Hoover , Gil Bohrer , Jerod Merkle , Jennifer A. Miller

Materials informatics is increasingly used to support modelling, analysis and design across the length scales of materials science, from atomistic simulations to microstructural characterisation and continuum descriptions. Despite rapid…

Modeling environmental ecosystems is essential for effective resource management, sustainable development, and understanding complex ecological processes. However, traditional data-driven methods face challenges in capturing inherently…

Machine Learning · Computer Science 2025-04-08 Runlong Yu , Shengyu Chen , Yiqun Xie , Huaxiu Yao , Jared Willard , Xiaowei Jia

Data-driven science is heralded as a new paradigm in materials science. In this field, data is the new resource, and knowledge is extracted from materials data sets that are too big or complex for traditional human reasoning - typically…

Computational Physics · Physics 2019-10-28 Lauri Himanen , Amber Geurts , Adam S. Foster , Patrick Rinke

In materials sciences, a large amount of research data is generated through a broad spectrum of different experiments. As of today, experimental research data including meta-data in materials science is often stored decentralized by the…

Databases · Computer Science 2015-01-07 Thorsten Wuest , Rainer Tinscher , Robert Porzel , Klaus-Dieter Thoben

There has been an increasing recognition of the value of data and of data-based decision making. As a consequence, the development of data science as a field of study has intensified in recent years. However, there is no systematic and…

Other Computer Science · Computer Science 2024-01-05 M. Tamer Özsu

Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…

Materials Science · Physics 2025-10-09 Victor Dudarev , Lars Banko , Alfred Ludwig

Scientific communities naturally tend to organize around data ecosystems created by the combination of their observational devices, their data repositories, and the workflows essential to carry their research from observation to discovery.…

Networking and Internet Architecture · Computer Science 2021-06-30 Mark Asch , François Bodin , Micah Beck , Terry Moore , Michela Taufer , Martin Swany , Jean-Pierre Vilotte

Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., units, zero base…

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

This chapter addresses the forth paradigm of materials research -- big-data driven materials science. Its concepts and state-of-the-art are described, and its challenges and chances are discussed. For furthering the field, Open Data and an…

Materials Science · Physics 2019-04-12 Claudia Draxl , Matthias Scheffler

Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great…

Computational Engineering, Finance, and Science · Computer Science 2023-12-07 Doksoo Lee , Wei Wayne Chen , Liwei Wang , Yu-Chin Chan , Wei Chen

We view Digital Ecosystems to be the digital counterparts of biological ecosystems. Here, we are concerned with the creation of these Digital Ecosystems, exploiting the self-organising properties of biological ecosystems to evolve…

Networking and Internet Architecture · Computer Science 2011-12-02 Gerard Briscoe , Suzanne Sadedin , Philippe De Wilde

Sharing scientific data, with the objective of making it fully discoverable, accessible, assessable, intelligible, usable, and interoperable, requires work at the disciplinary level to define in particular how the data should be formatted…

Instrumentation and Methods for Astrophysics · Physics 2017-10-19 Françoise Genova , Christophe Arviset , Bridget M. Almas , Laura Bartolo , Daan Broeder , Emily Law , Brian McMahon

Data is a precious resource in today's society, and is generated at an unprecedented and constantly growing pace. The need to store, analyze, and make data promptly available to a multitude of users introduces formidable challenges in…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-08 Alessandro Margara , Gianpaolo Cugola , Nicolò Felicioni , Stefano Cilloni

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

Materials Science · Physics 2020-06-12 Kevin Maik Jablonka , Daniele Ongari , Seyed Mohamad Moosavi , Berend Smit
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