Towards a GRID based Portal for an a priori Molecular Simulation of Chemical Reactivity [chapter]

Osvaldo Gervasi, Antonio Laganà, Matteo Lobbiani
2002 Lecture Notes in Computer Science  
The prototype of an Internet Portal devoted to the Simulation of Chemical reactivity has been implemented using an engine running in parallel. The application makes use of PVM, and it has been structured to be ported on a GRID environment using MPI.
doi:10.1007/3-540-47789-6_101 fatcat:rdbu4urhm5ernf2zum37h4jmf4