Computing Molecular Energy Surfaces on a Grid
作者： Loriano Storchi , Francesco Tarantelli , Antonio Laganà
DOI: 10.1007/11751540_71
关键词:
摘要: 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 architecture SUPSIM, its current implementation, and possible future developments tackle chemical increasing complexity.
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