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The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of…

In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges…

We discuss here our vision for an Open-Science platform for computational Materials Science. Such a platform needs to rely on three pillars, consisting of 1) open data generation tools (including the simulation codes, the scientific…

Materials Science · Physics 2021-07-21 Giovanni Pizzi

With ever-increasing computational capabilities, robust and automated research workflows have become essential for orchestrating large numbers of interdependent simulations. However, significant technical expertise is still required to…

Cloud platforms allow users to execute tasks directly from their web browser and are a key enabling technology not only for commerce but also for computational science. Research software is often developed by scientists with limited…

Over the last two decades, the field of computational science has seen a dramatic shift towards incorporating high-throughput computation and big-data analysis as fundamental pillars of the scientific discovery process. This has…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-18 Martin Uhrin , Sebastiaan P. Huber , Jusong Yu , Nicola Marzari , Giovanni Pizzi

Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts 1) archival and dissemination services for raw and curated data,…

All Control Systems that grow to any size have a variety of data that are stored in different formats on different nodes in the network. Examples include sensor value and status, archived sensor data, device oriented support data and…

Accelerator Physics · Physics 2007-05-23 Matthias Clausen , Ron MacKenzie , Robert Sass , Kenneth Underwood , Greg White

Data-driven intelligent computational design (DICD) is a research hotspot emerged under the context of fast-developing artificial intelligence. It emphasizes on utilizing deep learning algorithms to extract and represent the design features…

Artificial Intelligence · Computer Science 2023-04-12 Maolin Yang , Pingyu Jiang , Tianshuo Zang , Yuhao Liu

We argue for the need for a new generation of data science solutions that can democratize recent advances in data engineering and artificial intelligence for non-technical users from various disciplines, enabling them to unlock the full…

Open-source EDA shows promising potential in unleashing EDA innovation and lowering the cost of chip design. This paper presents an open-source EDA project, iEDA, aiming for building a basic infrastructure for EDA technology evolution and…

We present an overview of the design and first proof-of-concept implementation for AIDA, an autonomous intelligent developer agent that develops software from scratch. AIDA takes a software requirements specification and uses reasoning over…

Artificial Intelligence · Computer Science 2022-08-15 Mark Alan Matties

In this paper, we argue that database systems be augmented with an automated data exploration service that methodically steers users through the data in a meaningful way. Such an automated system is crucial for deriving insights from…

Databases · Computer Science 2015-11-02 Kyriaki Dimitriadou , Olga Papaemmanouil , Yanlei Diao

Recent research has demonstrated that artificial intelligence (AI) can assist electronic design automation (EDA) in improving both the quality and efficiency of chip design. But current AI for EDA (AI-EDA) infrastructures remain fragmented,…

Machine Learning · Computer Science 2025-11-11 Yihang Qiu , Zengrong Huang , Simin Tao , Hongda Zhang , Weiguo Li , Xinhua Lai , Rui Wang , Weiqiang Wang , Xingquan Li

Functional materials that enable many technological applications in our everyday lives owe their unique properties to defects that are carefully engineered and incorporated into these materials during processing. However, optimizing and…

Materials Science · Physics 2023-03-23 Sokseiha Muy , Conrad Johnston , Nicola Marzari

Over the last decades, the amount of data of all kinds available electronically has increased dramatically. Data are accessible through a range of interfaces including Web browsers, database query languages, application-specific interfaces,…

Software Engineering · Computer Science 2013-10-01 Gianluca Colombo , Ettore Colombo , Andrea Bonomi , Alessandro Mosca , Simone Bassis

Advances in networking and computing technologies throughout the early decades of the 21st century have transformed long-standing dreams of pervasive communication and computation into reality. These technologies now form a rapidly evolving…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-15 Mohsen Amini Salehi , Adel N. Tousi , Hai Duc Nguyen , Murtaza Rangwala , Omar Rana , Tevfik Kosar , Valeria Cardellini , Rajkumar Buyya

Computational Grids, emerging as an infrastructure for next generation computing, enable the sharing, selection, and aggregation of geographically distributed resources for solving large-scale problems in science, engineering, and commerce.…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Rajkumar Buyya

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

Computers and Society · Computer Science 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

The reproduction and replication of reported scientific results is a hot topic within the academic community. The retraction of numerous studies from a wide range of disciplines, from climate science to bioscience, has drawn the focus of…

Computational Engineering, Finance, and Science · Computer Science 2014-10-15 Tom Crick , Benjamin A. Hall , Samin Ishtiaq , Kenji Takeda
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