Provenance-based retrieval: Fostering reuse and reproducibility across scientific disciplines

Abstract

When computational researchers from several domains cooperate, one recurrent problem is finding tools, methods and approaches that can be used across disciplines, to enhance collaboration through reuse. The paper presents our ongoing work to meet the challenges posed by provenance-based retrieval, proposed as a solution for transdisciplinary scientific collaboration via reuse of scientific workflows. Our work is based upon a case study in molecular dynamics experiments, as part of a larger multi-scale experimental scenario.