MoSGrid: Progress of Workflow Driven Chemical Simulations

Research output: Contribution to book/conference proceedings/anthology/reportConference contributionContributedpeer-review


  • Georg Birkenheuer - , Paderborn University (Author)
  • Dirk Blunk - , University of Cologne (Author)
  • Sebastian Breuers - , University of Cologne (Author)
  • André Brinkmann - , Paderborn University (Author)
  • Gregor Fels - , Paderborn University (Author)
  • Sandra Gesing - , University of Tübingen (Author)
  • Richard Grunzke - , TUD Dresden University of Technology (Author)
  • Sonja Herres-Pawlis - , Dortmund University of Technology (Author)
  • Oliver Kohlbacher - , University of Tübingen (Author)
  • Jens Krüger - , Paderborn University (Author)
  • Ulrich Lang - , University of Cologne (Author)
  • Lars Packschies - , University of Cologne (Author)
  • Ralph Müller-Pfefferkorn - , Center for Information Services and High Performance Computing (ZIH) (Author)
  • Patrick Schäfer - , Zuse Institute Berlin (Author)
  • Johannes Schuster - , Paderborn University (Author)
  • Thomas Steinke - , Zuse Institute Berlin (Author)
  • Klaus Dieter Warzecha - , University of Cologne (Author)
  • Martin Wewior - , University of Cologne (Author)


Motivation: Web-based access to computational chemistry grid resources has proven to be a viable approach to simplify the use of simulation codes. The introduction of recipes allows to reuse already developed chemical workflows. By this means, workflows for recurring basic compute jobs can be provided for daily services. Nevertheless, the same platform has to be open for active workflow development by experienced users. This paper provides an overview of recent developments of the MoSGrid project on providing tools and instruments for building workflow recipes.


Original languageEnglish
Title of host publicationProceedings of the Grid Workflow Workshop 2011
EditorsKlaus-Dieter Warzecha, Lars Packschies
Number of pages6
Publication statusPublished - 2011

Publication series

SeriesCEUR Workshop Proceedings


TitleGrid Workflow Workshop 2011, GWW 2011
Duration4 March 2011

External IDs

Scopus 84891924165


Research priority areas of TU Dresden

ASJC Scopus subject areas


  • workflow, simulation