SUPSIM is a web application, based on the Java Servlet technologies, to compute ab-initio potential energy surfaces of molecular systems for subsequent dynamical properties calculation. We describe the architecture of SUPSIM, its current implementation, and its possible future developments to tackle chemical systems of increasing complexity. © Springer-Verlag Berlin Heidelberg 2006.
Computing molecular energy surfaces on a Grid
STORCHI, LORIANO;
2006-01-01
Abstract
SUPSIM is a web application, based on the Java Servlet technologies, to compute ab-initio potential energy surfaces of molecular systems for subsequent dynamical properties calculation. We describe the architecture of SUPSIM, its current implementation, and its possible future developments to tackle chemical systems of increasing complexity. © Springer-Verlag Berlin Heidelberg 2006.File in questo prodotto:
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