A new bottom up approach to the CMMST-VRE

Abstract

From the convergent activities of COST D23 (D23 | Metachem | 17 October 2000 - 18 July 2005) and D37 (D37 | Grid Computing in Chemistry: GRIDCHEM | 06 July 2006 - 05 July 2010) Actions (made by a set of networked laboratories operating in: Computational photochemistry and photobiology (coordinated by Hans Lischka, University of Vienna, AT), Quantum dynamics engines for grid empowered molecular simulators (coordinated by
Antonio Laganà, University of Perugia, IT), E-science for learning approaches in molecular science (coordinated by Osvaldo Gervasi, University of Perugia, IT), Code interoperability in computational chemistry (coordinated by Elda Rossi, CINECA, IT), Computational
chemistry workflows and data management (coordinated by Thomas Steinke, Zuse Institute Berlin, DE)) [1] and EGEE III (that created the largest collaborative infrastructure in the world for e-science involving high energy physics, astronomy, astrophysics, computational chemistry, earth science, fusion and computer science [2]) the Computational Chemistry Virtual Organization (VO)
COMPCHEM (https://www3.compchem.unipg.it/compchem/) was established. [...]