TechNews digests: Jan - Nov 2009

TechNews is a technology, news and analysis service aimed at anyone in the education sector keen to stay informed about technology developments, trends and issues. TechNews focuses on emerging technologies and other technology news. TechNews service : digests september 2004 till May 2010 Analysis pieces and News combined publish every 2 to 3 month

Towards Exascale Scientific Metadata Management

Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination between the data production and the analysis phases hinges on the availability of metadata that describe the scientific datasets. Existing workflow engines have been capturing a limited form of metadata to provide provenance information about the identity and lineage of the data. However, much of the data produced by simulations, experiments, and analyses still need to be annotated manually in an ad hoc manner by domain scientists. Systematic and transparent acquisition of rich metadata becomes a crucial prerequisite to sustain and accelerate the pace of scientific innovation. Yet, ubiquitous and domain-agnostic metadata management infrastructure that can meet the demands of extreme-scale science is notable by its absence. To address this gap in scientific data management research and practice, we present our vision for an integrated approach that (1) automatically captures and manipulates information-rich metadata while the data is being produced or analyzed and (2) stores metadata within each dataset to permeate metadata-oblivious processes and to query metadata through established and standardized data access interfaces. We motivate the need for the proposed integrated approach using applications from plasma physics, climate modeling and neuroscience, and then discuss research challenges and possible solutions

Educating and Training Accelerator Scientists and Technologists for Tomorrow

Accelerator science and technology is inherently an integrative discipline that combines aspects of physics, computational science, electrical and mechanical engineering. As few universities offer full academic programs, the education of accelerator physicists and engineers for the future has primarily relied on a combination of on-the-job training supplemented with intense courses at regional accelerator schools. This paper describes the approaches being used to satisfy the educational interests of a growing number of interested physicists and engineers.Comment: 19 pages, 3 figure

The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions

Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative platforms. The evolution of computational approaches is driven by the essential criteria that a drug molecule has to fulfill, from the affinity to targets to minimal side effects while having adequate absorption, distribution, metabolism, and excretion (ADME) properties. A combination of ligand- and structure-based drug development approaches is already used to obtain consensus predictions of small molecule activities and their off-target interactions. Further integration of these methods into easy-to-use workflows informed by systems biology could realize the full potential of available data in the drug discovery and reduce the attrition of drug candidates.Peer reviewe

Designing a Blockchain Model for the Paris Agreement’s Carbon Market Mechanism

This paper examines the benefits and constraints of applying blockchain technology for the Paris Agreement carbon market mechanism and develops a list of technical requirements and soft factors as selection criteria to test the feasibility of two different blockchain platforms. The carbon market mechanism, as outlined in Article 6.2 of the Paris Agreement, can accelerate climate action by enabling cooperation between national Parties. However, in the past, carbon markets were limited by several constraints. Our research investigates these constraints and translates them into selection criteria to design a blockchain platform to overcome these past limitations. The developed selection criteria and assumptions developed in this paper provide an orientation for blockchain assessments. Using the selection criteria, we examine the feasibility of two distinct blockchains, Ethereum and Hyperledger Fabric, for the specific use case of Article 6.2. These two blockchain systems represent contrary forms of design and governance; Ethereum constitutes a public and permissionless blockchain governance system, while Hyperledger Fabric represents a private and permissioned governance system. Our results show that both blockchain systems can address present carbon market constraints by enhancing market transparency, increasing process automation, and preventing double counting. The final selection and blockchain system implementation will first be possible, when the Article 6 negotiations are concluded, and governance preferences of national Parties are established. Our paper informs about the viability of different blockchain systems, offers insights into governance options, and provides a valuable framework for a concrete blockchain selection in the future.DFG, 414044773, Open Access Publizieren 2019 - 2020 / Technische Universität Berli

Development of Grid e-Infrastructure in South-Eastern Europe

Over the period of 6 years and three phases, the SEE-GRID programme has established a strong regional human network in the area of distributed scientific computing and has set up a powerful regional Grid infrastructure. It attracted a number of user communities and applications from diverse fields from countries throughout the South-Eastern Europe. From the infrastructure point view, the first project phase has established a pilot Grid infrastructure with more than 20 resource centers in 11 countries. During the subsequent two phases of the project, the infrastructure has grown to currently 55 resource centers with more than 6600 CPUs and 750 TBs of disk storage, distributed in 16 participating countries. Inclusion of new resource centers to the existing infrastructure, as well as a support to new user communities, has demanded setup of regionally distributed core services, development of new monitoring and operational tools, and close collaboration of all partner institution in managing such a complex infrastructure. In this paper we give an overview of the development and current status of SEE-GRID regional infrastructure and describe its transition to the NGI-based Grid model in EGI, with the strong SEE regional collaboration.Comment: 22 pages, 12 figures, 4 table