作者: Carlo Maria Zwölf , Nicolas Moreau , Marie-Lise Dubernet
DOI: 10.1016/J.JMS.2016.04.009
关键词:
摘要: Abstract In this paper we present a new paradigm for the identification of datasets extracted from Virtual Atomic and Molecular Data Centre (VAMDC) e-science infrastructure. Such includes information on origin version datasets, references associated to individual data in as well timestamps linked extraction procedure. This is described through modifications language used exchange within VAMDC services that will implement those modifications. should enforce traceability favor reproducibility extraction, facilitate systematic citation authors having originally measured and/or calculated atomic molecular data.