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Data Technology in Materials Modelling

Authors: Horsch, M.Th., Chiacchiera, S., Cavalcanti, W.L., Schembera, B.

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  • Describes a set of novel approaches to semantic interoperability in materials modeling
  • Useful to developers who would like to integrate their tools into virtual marketplace infrastructures
  • Is an open access book
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  • ISBN 978-3-030-68597-3
  • This book is an open access book, you can download it for free on link.springer.com
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  • ISBN 978-3-030-68596-6
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About this book

This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting the uptake of novel modelling and simulation approaches by SMEs, consultants, and industrial R&D end users. Semantic assets presented include the EngMeta metadata schema for research data infrastructures in simulation-based engineering and the collection of ontologies from VIMMP, including the ontology for simulation, modelling, and optimization (OSMO) and the VIMMP software ontology (VISO).

About the authors

Martin Thomas Horsch graduated with a diploma degree in computer science from the University of Stuttgart (2006) and with a doctorate in mechanical engineering from the University of Paderborn (2010). In 2011, he was appointed as a junior professor at TU Kaiserslautern, where he obtained the habilitation in computational engineering (2016). In 2018, he joined STFC Daresbury Laboratory and, in 2020, the High-Performance Computing Center Stuttgart.

Silvia Chiacchiera got a degree in Physics from the University of Perugia (2004) and a Ph.D. in Physics from the University of Torino (2007). Afterwards, she has been a postdoc researcher at IPN Lyon (France) and at the Center for Computational Physics of the University of Coimbra (Portugal), where she was also involved in teaching. She joined STFC Daresbury Laboratory in 2016.

Björn Schembera studied computer science and philosophy at the University of Stuttgart where he received a diploma degree in computer science (2011) and a doctorate in energy, process, and bio-engineering (2019) with a thesis on research data management for simulation sciences. Since 2011, he has been a research associate at the national High-Performance Computing Center Stuttgart (HLRS) working in research data management. His scientific interests include dark data, distributed systems as well as philosophy of computer simulation and information technology and society.

Welchy Leite Cavalcanti is a theoretical physicist with strong background in computer simulations working in the “Applied Computational Chemistry” group at IFAM since 2008. Before joining IFAM, she worked as a postdoc in computational science in the groups of Prof. Florian Müller Plathe (Bremen and Darmstadt – 2003 to 2006) and Prof. Thomas Frauenheim (Bremen 2006 to 2008). Besides her scientific activities on the computational modelling to investigate properties of polymeric materials, she has established and coordinated several ongoing collaborations and exchange programmes in Europe, and between Europe and Brazil. She is active in international project management and presently coordinates the H2020 project VIMMP (Grant no. 760907).

Table of contents (5 chapters)

Table of contents (5 chapters)
  • Introduction

    Pages 1-12

    Horsch, Martin Thomas (et al.)

  • Research Data Infrastructures and Engineering Metadata

    Pages 13-30

    Horsch, Martin Thomas (et al.)

  • Marketplace-Level Domain Ontologies

    Pages 31-54

    Horsch, Martin Thomas (et al.)

  • Semantic Technology for Simulations and Molecular Particle-Based Methods

    Pages 55-70

    Horsch, Martin Thomas (et al.)

  • Applications of the Metadata Standards

    Pages 71-92

    Horsch, Martin Thomas (et al.)

Buy this book

eBook  
  • ISBN 978-3-030-68597-3
  • This book is an open access book, you can download it for free on link.springer.com
Softcover 29,99 €
price for Korea, Republic of (South Korea) (gross)
  • ISBN 978-3-030-68596-6
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
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Bibliographic Information

Bibliographic Information
Book Title
Data Technology in Materials Modelling
Authors
Series Title
SpringerBriefs in Applied Sciences and Technology
Copyright
2021
Publisher
Springer International Publishing
Copyright Holder
The Author(s)
eBook ISBN
978-3-030-68597-3
DOI
10.1007/978-3-030-68597-3
Softcover ISBN
978-3-030-68596-6
Series ISSN
2191-530X
Edition Number
1
Number of Pages
X, 92
Number of Illustrations
4 b/w illustrations, 27 illustrations in colour
Topics